N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine

C19H17N7 — CID 142477797

IUPACN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCC[C@@H]2Nc1nc(-n2cncn2)nc2cccnc12
InChIInChI=1S/C19H17N7/c1-2-7-14-13(5-1)6-3-8-15(14)23-18-17-16(9-4-10-21-17)24-19(25-18)26-12-20-11-22-26/h1-2,4-5,7,9-12,15H,3,6,8H2,(H,23,24,25)/t15-/m0/s1
InChIKeyBTUNCHKOKWTZSO-HNNXBMFYSA-N
MW343.39 g/mol
LogP3.10
Rot. Bonds3

About N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 142477797) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID142477797
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCC[C@@H]2Nc1nc(-n2cncn2)nc2cccnc12
InChIInChI=1S/C19H17N7/c1-2-7-14-13(5-1)6-3-8-15(14)23-18-17-16(9-4-10-21-17)24-19(25-18)26-12-20-11-22-26/h1-2,4-5,7,9-12,15H,3,6,8H2,(H,23,24,25)/t15-/m0/s1
InChIKeyBTUNCHKOKWTZSO-HNNXBMFYSA-N
XLogP3.10
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 142477727
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167320
3-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62734178
9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine
CID 163348579
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 142477796
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 65276359
6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine
CID 141113733
1-methyl-6-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95726742
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 60673860
4-[4-[6-(2,3-dihydro-1H-inden-1-ylamino)-9-(2-hydroxyethyl)purin-2-yl]piperazin-1-yl]phenol;hydrochloride
CID 155102967
2-chloro-N-cyclohexyl-7-methylpyrido[3,2-d]pyrimidin-4-amine;2-chloro-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine;N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)-7-methylpyrido[3,2-d]pyrimidin-4-amine;N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine;2-(3,5-dimethylpyrazol-1-yl)-7-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine;2-(3,5-dimethylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine;7-hexoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine;N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
CID 159588842

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine (CID 142477797) is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine is c1ccc2c(c1)CCC[C@@H]2Nc1nc(-n2cncn2)nc2cccnc12.
What is the InChIKey of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is BTUNCHKOKWTZSO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17N7/c1-2-7-14-13(5-1)6-3-8-15(14)23-18-17-16(9-4-10-21-17)24-19(25-18)26-12-20-11-22-26/h1-2,4-5,7,9-12,15H,3,6,8H2,(H,23,24,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 343.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 142477797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).