N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C20H26N10 — CID 126912190

IUPACN,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)c1cc(N2CCC(c3nnc4ccc(N(C)C)nn34)CC2)n2ncnc2n1
InChIInChI=1S/C20H26N10/c1-13(2)15-11-18(30-20(23-15)21-12-22-30)28-9-7-14(8-10-28)19-25-24-16-5-6-17(27(3)4)26-29(16)19/h5-6,11-14H,7-10H2,1-4H3
InChIKeyYQYJCVAFCMNQSB-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.14
Rot. Bonds4

About N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 126912190) has the molecular formula C20H26N10 and a molecular weight of 406.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID126912190
Molecular FormulaC20H26N10
Molecular Weight406.50 g/mol
Exact Mass406.23
IUPAC NameN,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)c1cc(N2CCC(c3nnc4ccc(N(C)C)nn34)CC2)n2ncnc2n1
InChIInChI=1S/C20H26N10/c1-13(2)15-11-18(30-20(23-15)21-12-22-30)28-9-7-14(8-10-28)19-25-24-16-5-6-17(27(3)4)26-29(16)19/h5-6,11-14H,7-10H2,1-4H3
InChIKeyYQYJCVAFCMNQSB-UHFFFAOYSA-N
XLogP2.14
TPSA92.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

N,N-dimethyl-3-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912206
N,N-dimethyl-3-(1-pyridin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126911947
5-(methoxymethyl)-7-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126911773
6-tert-butyl-3-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910816
3-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912029
5-methyl-7-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133422921
N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912034
N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912114
N,N-dimethyl-3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912084
3-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126912228
(6S)-6-methyl-4-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
CID 164629665
N,N-dimethyl-3-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912116

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 126912190) is N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)c1cc(N2CCC(c3nnc4ccc(N(C)C)nn34)CC2)n2ncnc2n1.
What is the InChIKey of N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is YQYJCVAFCMNQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N10/c1-13(2)15-11-18(30-20(23-15)21-12-22-30)28-9-7-14(8-10-28)19-25-24-16-5-6-17(27(3)4)26-29(16)19/h5-6,11-14H,7-10H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 406.50 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 126912190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).