N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine

C13H16N4 — CID 112596248

IUPACN,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CC2c2ccccc2)n1C
InChIInChI=1S/C13H16N4/c1-14-13-16-15-12(17(13)2)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3,(H,14,16)
InChIKeyYMBGHBWGEJOYOP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.13
Rot. Bonds3

About N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine

N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine (PubChem CID 112596248) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine
PubChem CID112596248
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CC2c2ccccc2)n1C
InChIInChI=1S/C13H16N4/c1-14-13-16-15-12(17(13)2)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3,(H,14,16)
InChIKeyYMBGHBWGEJOYOP-UHFFFAOYSA-N
XLogP2.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 115397058
4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole
CID 115393362
5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596966
4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid
CID 114392985
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596259
[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 113301681
(5S)-5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 104911717
3-(bromomethyl)-4-(2-methoxyethyl)-5-(2-phenylcyclopropyl)-1,2,4-triazole
CID 115398926
5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596396
5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597244
1-methyl-N-(2-phenylcyclopropyl)imidazol-2-amine
CID 62133656
N,4-dimethyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazol-3-amine
CID 102783762

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine (CID 112596248) is N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine is CNc1nnc(C2CC2c2ccccc2)n1C.
What is the InChIKey of N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine?
The InChIKey is YMBGHBWGEJOYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-14-13-16-15-12(17(13)2)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3,(H,14,16).
What are the key properties of N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine?
N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine has a molecular weight of 228.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).