N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C16H17N7 — CID 170324062

IUPACN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESc1ncn(Cc2ccc(Nc3ncc4c(n3)CNCC4)cc2)n1
InChIInChI=1S/C16H17N7/c1-3-14(4-2-12(1)9-23-11-18-10-20-23)21-16-19-7-13-5-6-17-8-15(13)22-16/h1-4,7,10-11,17H,5-6,8-9H2,(H,19,21,22)
InChIKeyCIAYLUSTVUGOBJ-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.51
Rot. Bonds4

About N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170324062) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID170324062
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC NameN-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESc1ncn(Cc2ccc(Nc3ncc4c(n3)CNCC4)cc2)n1
InChIInChI=1S/C16H17N7/c1-3-14(4-2-12(1)9-23-11-18-10-20-23)21-16-19-7-13-5-6-17-8-15(13)22-16/h1-4,7,10-11,17H,5-6,8-9H2,(H,19,21,22)
InChIKeyCIAYLUSTVUGOBJ-UHFFFAOYSA-N
XLogP1.51
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(imidazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324799
N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324513
N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324271
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
methyl 2-[2-fluoro-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]acetate
CID 177364032
N-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324420
N-[(3-methylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 66116387
N-(2-methylsulfonyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324596
4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-5-pyrimidin-5-yl-2-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 25104655
N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
2-[4-(1,2,4-triazol-1-ylmethyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 45494701
4-[4-(oxan-4-yloxy)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 141304808

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 170324062) is N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is c1ncn(Cc2ccc(Nc3ncc4c(n3)CNCC4)cc2)n1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is CIAYLUSTVUGOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c1-3-14(4-2-12(1)9-23-11-18-10-20-23)21-16-19-7-13-5-6-17-8-15(13)22-16/h1-4,7,10-11,17H,5-6,8-9H2,(H,19,21,22).
What are the key properties of N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 307.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170324062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).