6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine

C16H19N7O2 — CID 131963482

IUPAC6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(NC3CCc4ncnn4C3)nc(N)c2cc1OC
InChIInChI=1S/C16H19N7O2/c1-24-12-5-10-11(6-13(12)25-2)21-16(22-15(10)17)20-9-3-4-14-18-8-19-23(14)7-9/h5-6,8-9H,3-4,7H2,1-2H3,(H3,17,20,21,22)
InChIKeyKKTJKAXPEOCVMJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.25
Rot. Bonds4

About 6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine

6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine (PubChem CID 131963482) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine
PubChem CID131963482
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(NC3CCc4ncnn4C3)nc(N)c2cc1OC
InChIInChI=1S/C16H19N7O2/c1-24-12-5-10-11(6-13(12)25-2)21-16(22-15(10)17)20-9-3-4-14-18-8-19-23(14)7-9/h5-6,8-9H,3-4,7H2,1-2H3,(H3,17,20,21,22)
InChIKeyKKTJKAXPEOCVMJ-UHFFFAOYSA-N
XLogP1.25
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine
CID 166201680
[4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]piperidin-1-yl]-cyclohexylmethanone
CID 56557141
2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine
CID 133333792
N-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 86893855
N-(6-chloropyrazin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281563
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
CID 117094579
N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281627
3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 166207162
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine
CID 57342963

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine (CID 131963482) is 6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine is COc1cc2nc(NC3CCc4ncnn4C3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine?
The InChIKey is KKTJKAXPEOCVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-24-12-5-10-11(6-13(12)25-2)21-16(22-15(10)17)20-9-3-4-14-18-8-19-23(14)7-9/h5-6,8-9H,3-4,7H2,1-2H3,(H3,17,20,21,22).
What are the key properties of 6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine?
6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine has a molecular weight of 341.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 131963482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).