4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine

C10H13N5 — CID 175917505

IUPAC4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
SMILESNc1nnc(N)n1CCc1ccccc1
InChIInChI=1S/C10H13N5/c11-9-13-14-10(12)15(9)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H2,12,14)
InChIKeyIIBZESSJWJUALK-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.69
Rot. Bonds3

About 4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine

4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine (PubChem CID 175917505) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
PubChem CID175917505
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
SMILESNc1nnc(N)n1CCc1ccccc1
InChIInChI=1S/C10H13N5/c11-9-13-14-10(12)15(9)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H2,12,14)
InChIKeyIIBZESSJWJUALK-UHFFFAOYSA-N
XLogP0.69
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-amino-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64573255
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
CID 65346773
6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine
CID 62531704
4-amino-3-(2-phenylethyl)quinazolin-2-one
CID 122714244
7-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79288299
3-benzyl-5-phenyl-4-(2-phenylethyl)-1,2,4-triazole
CID 86058172
5-(azaniumylmethyl)-4-(2-phenylethyl)-1,2,4-triazole-3-thiolate
CID 30935241
3-chloro-5-ethyl-4-(2-phenylethyl)-1,2,4-triazole
CID 63384637
4-phenyl-1-(2-phenylethyl)imidazol-2-amine
CID 154638135
3-isocyano-4,5-diphenyl-1-(2-phenylethyl)pyrrol-2-amine
CID 123203445
2-[[5-amino-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64573474
3-chloro-4-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazole
CID 63384684

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine (CID 175917505) is 4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine is Nc1nnc(N)n1CCc1ccccc1.
What is the InChIKey of 4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine?
The InChIKey is IIBZESSJWJUALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-9-13-14-10(12)15(9)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H2,12,14).
What are the key properties of 4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine?
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 203.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 175917505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).