3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine

C12H17N5 — CID 66275612

IUPAC3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC(C)(CNc1n[nH]c(N)n1)c1ccccc1
InChIInChI=1S/C12H17N5/c1-12(2,9-6-4-3-5-7-9)8-14-11-15-10(13)16-17-11/h3-7H,8H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyUUTGESGQDPCDKL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.78
Rot. Bonds4

About 3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66275612) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID66275612
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCC(C)(CNc1n[nH]c(N)n1)c1ccccc1
InChIInChI=1S/C12H17N5/c1-12(2,9-6-4-3-5-7-9)8-14-11-15-10(13)16-17-11/h3-7H,8H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyUUTGESGQDPCDKL-UHFFFAOYSA-N
XLogP1.78
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-methyl-2-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 80527787
4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine
CID 114156465
3-N-(2-ethoxy-2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 114944580
3-N-[(4-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 71420765
3-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66274945
5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine
CID 79557000
1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropan-2-ol
CID 62375341
N-(2,2-dimethylpropyl)-5-phenyl-1H-1,2,4-triazol-3-amine
CID 20786175
N-(2-methyl-2-phenylpropyl)pyridin-2-amine
CID 60970281
3-N-[(5-methylpyrazin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66274509
3-N-(1H-pyrazol-5-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277126
N-(2-methyl-2-phenylpropyl)quinolin-2-amine
CID 63541485

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine (CID 66275612) is 3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine is CC(C)(CNc1n[nH]c(N)n1)c1ccccc1.
What is the InChIKey of 3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is UUTGESGQDPCDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-12(2,9-6-4-3-5-7-9)8-14-11-15-10(13)16-17-11/h3-7H,8H2,1-2H3,(H4,13,14,15,16,17).
What are the key properties of 3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methyl-2-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66275612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).