5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine

C7H15N5 — CID 61320161

IUPAC5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)CC(N)c1nc(N)n[nH]1
InChIInChI=1S/C7H15N5/c1-4(2)3-5(8)6-10-7(9)12-11-6/h4-5H,3,8H2,1-2H3,(H3,9,10,11,12)
InChIKeySKDAIQZHEKHSSK-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.43
Rot. Bonds3

About 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine

5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine (PubChem CID 61320161) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine
PubChem CID61320161
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine
SMILESCC(C)CC(N)c1nc(N)n[nH]1
InChIInChI=1S/C7H15N5/c1-4(2)3-5(8)6-10-7(9)12-11-6/h4-5H,3,8H2,1-2H3,(H3,9,10,11,12)
InChIKeySKDAIQZHEKHSSK-UHFFFAOYSA-N
XLogP0.43
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,4-triazol-3-amine
CID 172557070
(1R)-3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine
CID 104904387
(3S)-3-amino-3-(3-amino-1H-1,2,4-triazol-5-yl)propanenitrile;ethane
CID 144561860
1-(3-amino-1H-1,2,4-triazol-5-yl)ethanethiol
CID 57300850
ethyl 5-[(1R)-1-amino-3-methylbutyl]-1H-1,2,4-triazole-3-carboxylate
CID 97039094
5-(difluoromethyl)-1H-1,2,4-triazol-3-amine
CID 24702356
1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 61277333
5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine
CID 61319976
(1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol
CID 107841721
5-(2-methyl-1-phenylbutyl)-1H-1,2,4-triazol-3-amine
CID 61276904
1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol
CID 54086471
(1S)-3-methyl-1-(2,3,4,5,6-pentamethylphenyl)butan-1-amine
CID 28525663

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine (CID 61320161) is 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine is CC(C)CC(N)c1nc(N)n[nH]1.
What is the InChIKey of 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is SKDAIQZHEKHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-4(2)3-5(8)6-10-7(9)12-11-6/h4-5H,3,8H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine?
5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 169.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 61320161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).