azane;1-methyl-5-phenyl-4-propyltriazole

C12H18N4 — CID 174693231

IUPACazane;1-methyl-5-phenyl-4-propyltriazole
SMILESCCCc1nnn(C)c1-c1ccccc1.N
InChIInChI=1S/C12H15N3.H3N/c1-3-7-11-12(15(2)14-13-11)10-8-5-4-6-9-10;/h4-6,8-9H,3,7H2,1-2H3;1H3
InChIKeyZXNLOVRVGIABQD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.60
Rot. Bonds3

About azane;1-methyl-5-phenyl-4-propyltriazole

azane;1-methyl-5-phenyl-4-propyltriazole (PubChem CID 174693231) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is azane;1-methyl-5-phenyl-4-propyltriazole.

Molecular Properties

Compound Nameazane;1-methyl-5-phenyl-4-propyltriazole
PubChem CID174693231
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Nameazane;1-methyl-5-phenyl-4-propyltriazole
SMILESCCCc1nnn(C)c1-c1ccccc1.N
InChIInChI=1S/C12H15N3.H3N/c1-3-7-11-12(15(2)14-13-11)10-8-5-4-6-9-10;/h4-6,8-9H,3,7H2,1-2H3;1H3
InChIKeyZXNLOVRVGIABQD-UHFFFAOYSA-N
XLogP2.60
TPSA65.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;1-methyl-5-phenyl-4-propyltriazole?
The IUPAC name of azane;1-methyl-5-phenyl-4-propyltriazole (CID 174693231) is azane;1-methyl-5-phenyl-4-propyltriazole.
What is the SMILES notation for azane;1-methyl-5-phenyl-4-propyltriazole?
The canonical SMILES for azane;1-methyl-5-phenyl-4-propyltriazole is CCCc1nnn(C)c1-c1ccccc1.N.
What is the InChIKey of azane;1-methyl-5-phenyl-4-propyltriazole?
The InChIKey is ZXNLOVRVGIABQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.H3N/c1-3-7-11-12(15(2)14-13-11)10-8-5-4-6-9-10;/h4-6,8-9H,3,7H2,1-2H3;1H3.
What are the key properties of azane;1-methyl-5-phenyl-4-propyltriazole?
azane;1-methyl-5-phenyl-4-propyltriazole has a molecular weight of 218.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-methyl-5-phenyl-4-propyltriazole is sourced from PubChem (CID 174693231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).