cyclopropyl-(3-phenyltriazol-4-yl)methanamine

C12H14N4 — CID 114687020

IUPACcyclopropyl-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1cnnn1-c1ccccc1)C1CC1
InChIInChI=1S/C12H14N4/c13-12(9-6-7-9)11-8-14-15-16(11)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,13H2
InChIKeyMFEXCMSSSNQEIN-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.68
Rot. Bonds3

About cyclopropyl-(3-phenyltriazol-4-yl)methanamine

cyclopropyl-(3-phenyltriazol-4-yl)methanamine (PubChem CID 114687020) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is cyclopropyl-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(3-phenyltriazol-4-yl)methanamine
PubChem CID114687020
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Namecyclopropyl-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1cnnn1-c1ccccc1)C1CC1
InChIInChI=1S/C12H14N4/c13-12(9-6-7-9)11-8-14-15-16(11)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,13H2
InChIKeyMFEXCMSSSNQEIN-UHFFFAOYSA-N
XLogP1.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
CID 107005033
2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114686983
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043267
(4-ethylmorpholin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688550
2-cyclopropyl-1-(3-phenyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043321
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416
(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114686892
2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687525
2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531
[(3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105210469
[(2-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 107194806
3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine
CID 114691734

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of cyclopropyl-(3-phenyltriazol-4-yl)methanamine (CID 114687020) is cyclopropyl-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for cyclopropyl-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for cyclopropyl-(3-phenyltriazol-4-yl)methanamine is NC(c1cnnn1-c1ccccc1)C1CC1.
What is the InChIKey of cyclopropyl-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is MFEXCMSSSNQEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-12(9-6-7-9)11-8-14-15-16(11)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,13H2.
What are the key properties of cyclopropyl-(3-phenyltriazol-4-yl)methanamine?
cyclopropyl-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 214.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 114687020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).