5-phenyl-4-propyl-1,2,4-triazol-3-amine

C11H14N4 — CID 162403538

IUPAC5-phenyl-4-propyl-1,2,4-triazol-3-amine
SMILESCCCn1c(N)nnc1-c1ccccc1
InChIInChI=1S/C11H14N4/c1-2-8-15-10(13-14-11(15)12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,14)
InChIKeyKSSDUGKGKVVRNK-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.94
Rot. Bonds3

About 5-phenyl-4-propyl-1,2,4-triazol-3-amine

5-phenyl-4-propyl-1,2,4-triazol-3-amine (PubChem CID 162403538) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-phenyl-4-propyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-phenyl-4-propyl-1,2,4-triazol-3-amine
PubChem CID162403538
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-phenyl-4-propyl-1,2,4-triazol-3-amine
SMILESCCCn1c(N)nnc1-c1ccccc1
InChIInChI=1S/C11H14N4/c1-2-8-15-10(13-14-11(15)12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,14)
InChIKeyKSSDUGKGKVVRNK-UHFFFAOYSA-N
XLogP1.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-phenyl-4-propyl-1,2,4-triazol-3-yl)ethane-1,2-dithiol
CID 88790894
3-benzylsulfanyl-5-phenyl-4-propyl-1,2,4-triazole
CID 126096377
3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)aniline
CID 61376254
2-phenyl-5-propan-2-yl-3-propylimidazol-4-amine
CID 62222795
3-[(4-methylphenyl)methylsulfanyl]-5-phenyl-4-propyl-1,2,4-triazole
CID 126101832
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
3-phenyl-4-propyl-1,2,4-oxadiazol-5-imine
CID 132603793
2-[3-(3-methylphenyl)-5-phenyl-1,2,4-triazol-4-yl]ethanamine
CID 91360456
3-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-4-propyl-1,2,4-triazole
CID 126103612
3-[(3-fluorophenyl)methylsulfanyl]-5-phenyl-4-propyl-1,2,4-triazole
CID 126093238
4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)benzoic acid
CID 62926543
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
CID 175917505

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-propyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-phenyl-4-propyl-1,2,4-triazol-3-amine (CID 162403538) is 5-phenyl-4-propyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-phenyl-4-propyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-phenyl-4-propyl-1,2,4-triazol-3-amine is CCCn1c(N)nnc1-c1ccccc1.
What is the InChIKey of 5-phenyl-4-propyl-1,2,4-triazol-3-amine?
The InChIKey is KSSDUGKGKVVRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-8-15-10(13-14-11(15)12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,14).
What are the key properties of 5-phenyl-4-propyl-1,2,4-triazol-3-amine?
5-phenyl-4-propyl-1,2,4-triazol-3-amine has a molecular weight of 202.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-propyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 162403538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).