4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline

C17H21N7O — CID 126894740

IUPAC4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
SMILESCOc1ncnc2ccc(N3CCN(Cc4cnn(C)n4)CC3)cc12
InChIInChI=1S/C17H21N7O/c1-22-20-10-13(21-22)11-23-5-7-24(8-6-23)14-3-4-16-15(9-14)17(25-2)19-12-18-16/h3-4,9-10,12H,5-8,11H2,1-2H3
InChIKeyNBXBECFNMROSNE-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.09
Rot. Bonds4

About 4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline

4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline (PubChem CID 126894740) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
PubChem CID126894740
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
SMILESCOc1ncnc2ccc(N3CCN(Cc4cnn(C)n4)CC3)cc12
InChIInChI=1S/C17H21N7O/c1-22-20-10-13(21-22)11-23-5-7-24(8-6-23)14-3-4-16-15(9-14)17(25-2)19-12-18-16/h3-4,9-10,12H,5-8,11H2,1-2H3
InChIKeyNBXBECFNMROSNE-UHFFFAOYSA-N
XLogP1.09
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline (CID 126894740) is 4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline is COc1ncnc2ccc(N3CCN(Cc4cnn(C)n4)CC3)cc12.
What is the InChIKey of 4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is NBXBECFNMROSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-22-20-10-13(21-22)11-23-5-7-24(8-6-23)14-3-4-16-15(9-14)17(25-2)19-12-18-16/h3-4,9-10,12H,5-8,11H2,1-2H3.
What are the key properties of 4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline?
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline has a molecular weight of 339.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 126894740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).