5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine

C15H18N8 — CID 154563734

IUPAC5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine
SMILESCc1ccc2ncnc(N3CCC(c4nc(N)n[nH]4)CC3)c2n1
InChIInChI=1S/C15H18N8/c1-9-2-3-11-12(19-9)14(18-8-17-11)23-6-4-10(5-7-23)13-20-15(16)22-21-13/h2-3,8,10H,4-7H2,1H3,(H3,16,20,21,22)
InChIKeyIGVPOCCTWBPKFV-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.42
Rot. Bonds2

About 5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine

5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 154563734) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine
PubChem CID154563734
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine
SMILESCc1ccc2ncnc(N3CCC(c4nc(N)n[nH]4)CC3)c2n1
InChIInChI=1S/C15H18N8/c1-9-2-3-11-12(19-9)14(18-8-17-11)23-6-4-10(5-7-23)13-20-15(16)22-21-13/h2-3,8,10H,4-7H2,1H3,(H3,16,20,21,22)
InChIKeyIGVPOCCTWBPKFV-UHFFFAOYSA-N
XLogP1.42
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine (CID 154563734) is 5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine is Cc1ccc2ncnc(N3CCC(c4nc(N)n[nH]4)CC3)c2n1.
What is the InChIKey of 5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is IGVPOCCTWBPKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-9-2-3-11-12(19-9)14(18-8-17-11)23-6-4-10(5-7-23)13-20-15(16)22-21-13/h2-3,8,10H,4-7H2,1H3,(H3,16,20,21,22).
What are the key properties of 5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine?
5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 310.37 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 154563734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).