8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline

C16H18N6 — CID 133455600

IUPAC8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline
SMILESCc1cccc2c(N3CCC(n4ccnn4)CC3)ncnc12
InChIInChI=1S/C16H18N6/c1-12-3-2-4-14-15(12)17-11-18-16(14)21-8-5-13(6-9-21)22-10-7-19-20-22/h2-4,7,10-11,13H,5-6,8-9H2,1H3
InChIKeyQWHHWSDYSJLZPH-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.37
Rot. Bonds2

About 8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline

8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline (PubChem CID 133455600) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline
PubChem CID133455600
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline
SMILESCc1cccc2c(N3CCC(n4ccnn4)CC3)ncnc12
InChIInChI=1S/C16H18N6/c1-12-3-2-4-14-15(12)17-11-18-16(14)21-8-5-13(6-9-21)22-10-7-19-20-22/h2-4,7,10-11,13H,5-6,8-9H2,1H3
InChIKeyQWHHWSDYSJLZPH-UHFFFAOYSA-N
XLogP2.37
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline?
The IUPAC name of 8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline (CID 133455600) is 8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline?
The canonical SMILES for 8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline is Cc1cccc2c(N3CCC(n4ccnn4)CC3)ncnc12.
What is the InChIKey of 8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline?
The InChIKey is QWHHWSDYSJLZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-12-3-2-4-14-15(12)17-11-18-16(14)21-8-5-13(6-9-21)22-10-7-19-20-22/h2-4,7,10-11,13H,5-6,8-9H2,1H3.
What are the key properties of 8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline?
8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline has a molecular weight of 294.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[4-(triazol-1-yl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 133455600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).