6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C17H21N7 — CID 176505586

IUPAC6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCCc2nc(C)c3c(n2)CCCC3)c2nncn2n1
InChIInChI=1S/C17H21N7/c1-11-9-15(17-22-19-10-24(17)23-11)18-8-7-16-20-12(2)13-5-3-4-6-14(13)21-16/h9-10,18H,3-8H2,1-2H3
InChIKeyGKJSOVLUECAPNY-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.06
Rot. Bonds4

About 6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 176505586) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID176505586
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCCc2nc(C)c3c(n2)CCCC3)c2nncn2n1
InChIInChI=1S/C17H21N7/c1-11-9-15(17-22-19-10-24(17)23-11)18-8-7-16-20-12(2)13-5-3-4-6-14(13)21-16/h9-10,18H,3-8H2,1-2H3
InChIKeyGKJSOVLUECAPNY-UHFFFAOYSA-N
XLogP2.06
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 6493428
6-methyl-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 72936445
N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine
CID 105493609
1-(3-methylcinnolin-5-yl)-3-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]urea
CID 72853441
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
CID 95201478
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 156586379
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138385058
2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]ethanol
CID 12798330
(2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine
CID 95123282
[2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134705518
6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91785904
2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride
CID 75530624

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 176505586) is 6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1cc(NCCc2nc(C)c3c(n2)CCCC3)c2nncn2n1.
What is the InChIKey of 6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is GKJSOVLUECAPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-11-9-15(17-22-19-10-24(17)23-11)18-8-7-16-20-12(2)13-5-3-4-6-14(13)21-16/h9-10,18H,3-8H2,1-2H3.
What are the key properties of 6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 323.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 176505586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).