N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine

C12H16N4 — CID 129131969

IUPACN-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine
SMILESCC(C)(C)c1cccc(Nc2ncn[nH]2)c1
InChIInChI=1S/C12H16N4/c1-12(2,3)9-5-4-6-10(7-9)15-11-13-8-14-16-11/h4-8H,1-3H3,(H2,13,14,15,16)
InChIKeyPAYQEJYYWHXPGV-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.85
Rot. Bonds2

About N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine

N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine (PubChem CID 129131969) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine
PubChem CID129131969
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine
SMILESCC(C)(C)c1cccc(Nc2ncn[nH]2)c1
InChIInChI=1S/C12H16N4/c1-12(2,3)9-5-4-6-10(7-9)15-11-13-8-14-16-11/h4-8H,1-3H3,(H2,13,14,15,16)
InChIKeyPAYQEJYYWHXPGV-UHFFFAOYSA-N
XLogP2.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1H-1,2,4-triazol-5-amine
CID 129131974
5-(3-tert-butylphenyl)-1H-1,2,4-triazole
CID 58412583
3-tert-butyl-N-phenylaniline
CID 19803090
3-N-(3-tert-butylphenyl)-1H-1,2,4-triazole-3,5-diamine
CID 72715650
3-tert-butyl-N-(4-methylphenyl)aniline
CID 166638036
5-tert-butyl-N-(3-tert-butylphenyl)-2-deuterioaniline
CID 165344146
3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline
CID 177290254
N-(1H-1,2,4-triazol-5-yl)imidazo[1,2-a]pyridin-7-amine
CID 134547418
1-[2-(3-chlorophenyl)propan-2-yl]-3-(1H-1,2,4-triazol-5-yl)urea
CID 110490622
5-methyl-N-(3-methylsulfanylphenyl)-1H-imidazol-2-amine
CID 106555444
N-methyl-1H-1,2,4-triazol-5-amine
CID 566828
N-ethyl-1H-1,2,4-triazol-5-amine
CID 55284153

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine (CID 129131969) is N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine is CC(C)(C)c1cccc(Nc2ncn[nH]2)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is PAYQEJYYWHXPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(2,3)9-5-4-6-10(7-9)15-11-13-8-14-16-11/h4-8H,1-3H3,(H2,13,14,15,16).
What are the key properties of N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine?
N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 216.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 129131969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).