cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine

C12H14N4 — CID 62697473

IUPACcyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1nc(-c2ccccc2)n[nH]1)C1CC1
InChIInChI=1S/C12H14N4/c13-10(8-6-7-8)12-14-11(15-16-12)9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,14,15,16)
InChIKeySBTSSPVDRAONHJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.88
Rot. Bonds3

About cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine

cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 62697473) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine
PubChem CID62697473
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Namecyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1nc(-c2ccccc2)n[nH]1)C1CC1
InChIInChI=1S/C12H14N4/c13-10(8-6-7-8)12-14-11(15-16-12)9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,14,15,16)
InChIKeySBTSSPVDRAONHJ-UHFFFAOYSA-N
XLogP1.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine (CID 62697473) is cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine is NC(c1nc(-c2ccccc2)n[nH]1)C1CC1.
What is the InChIKey of cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is SBTSSPVDRAONHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-10(8-6-7-8)12-14-11(15-16-12)9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,14,15,16).
What are the key properties of cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine?
cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 214.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 62697473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).