N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C15H24N6 — CID 86801691

IUPACN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCCn1nc(C)c(CNc2nnc3n2CCCC3)c1C
InChIInChI=1S/C15H24N6/c1-4-8-21-12(3)13(11(2)19-21)10-16-15-18-17-14-7-5-6-9-20(14)15/h4-10H2,1-3H3,(H,16,18)
InChIKeyLDOGMMYDZSWQAP-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.45
Rot. Bonds5

About N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 86801691) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID86801691
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCCn1nc(C)c(CNc2nnc3n2CCCC3)c1C
InChIInChI=1S/C15H24N6/c1-4-8-21-12(3)13(11(2)19-21)10-16-15-18-17-14-7-5-6-9-20(14)15/h4-10H2,1-3H3,(H,16,18)
InChIKeyLDOGMMYDZSWQAP-UHFFFAOYSA-N
XLogP2.45
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 86801691) is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CCCn1nc(C)c(CNc2nnc3n2CCCC3)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is LDOGMMYDZSWQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-4-8-21-12(3)13(11(2)19-21)10-16-15-18-17-14-7-5-6-9-20(14)15/h4-10H2,1-3H3,(H,16,18).
What are the key properties of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 288.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 86801691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).