N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine

C14H14N6O — CID 86279715

IUPACN-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCOc1ccc(-n2nnc3cnc(NC4CC4)nc32)cc1
InChIInChI=1S/C14H14N6O/c1-21-11-6-4-10(5-7-11)20-13-12(18-19-20)8-15-14(17-13)16-9-2-3-9/h4-9H,2-3H2,1H3,(H,15,16,17)
InChIKeyTYYFTLGTEZPTAG-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.79
Rot. Bonds4

About N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine

N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 86279715) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID86279715
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCOc1ccc(-n2nnc3cnc(NC4CC4)nc32)cc1
InChIInChI=1S/C14H14N6O/c1-21-11-6-4-10(5-7-11)20-13-12(18-19-20)8-15-14(17-13)16-9-2-3-9/h4-9H,2-3H2,1H3,(H,15,16,17)
InChIKeyTYYFTLGTEZPTAG-UHFFFAOYSA-N
XLogP1.79
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Byk-191023
CID 10308091
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
CID 9543517
7H-Adenine, N-(o-methoxyphenyl)-
CID 52000
1-{9-isopropyl-6-[(4-methoxyphenyl)amino]-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538966
9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
CID 11647397
N~7~-(4-Ethoxyphenyl)-6-Methyl-N~5~-[(3s)-Piperidin-3-Yl]pyrazolo[1,5-A]pyrimidine-5,7-Diamine
CID 49867482
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875107
N-(3-methoxyphenyl)-9H-purin-6-amine
CID 670977
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine (CID 86279715) is N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine is COc1ccc(-n2nnc3cnc(NC4CC4)nc32)cc1.
What is the InChIKey of N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is TYYFTLGTEZPTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-21-11-6-4-10(5-7-11)20-13-12(18-19-20)8-15-14(17-13)16-9-2-3-9/h4-9H,2-3H2,1H3,(H,15,16,17).
What are the key properties of N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine?
N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 282.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 86279715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).