4-(1-methyltriazol-4-yl)butan-2-amine

C7H14N4 — CID 107044565

IUPAC4-(1-methyltriazol-4-yl)butan-2-amine
SMILESCC(N)CCc1cn(C)nn1
InChIInChI=1S/C7H14N4/c1-6(8)3-4-7-5-11(2)10-9-7/h5-6H,3-4,8H2,1-2H3
InChIKeyUKXWECMQWLKGCI-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.09
Rot. Bonds3

About 4-(1-methyltriazol-4-yl)butan-2-amine

4-(1-methyltriazol-4-yl)butan-2-amine (PubChem CID 107044565) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 4-(1-methyltriazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name4-(1-methyltriazol-4-yl)butan-2-amine
PubChem CID107044565
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name4-(1-methyltriazol-4-yl)butan-2-amine
SMILESCC(N)CCc1cn(C)nn1
InChIInChI=1S/C7H14N4/c1-6(8)3-4-7-5-11(2)10-9-7/h5-6H,3-4,8H2,1-2H3
InChIKeyUKXWECMQWLKGCI-UHFFFAOYSA-N
XLogP0.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054917
2-methyl-4-(1-methyltriazol-4-yl)butanoic acid
CID 107058965
4-(4-bromo-5-methylhexyl)-1-methyltriazole
CID 107055103
ethane;1-methyl-4-propyltriazole
CID 168923376
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine
CID 107044590
1-cyclopropyl-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107044720
4-(3-bromopropyl)-1-methyltriazole
CID 107053634
4-(4-bromohexyl)-1-methyltriazole
CID 107055099
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
chloro 2-amino-3-(1-methyltriazol-4-yl)propanoate
CID 169223972
4-(4-bromo-5,5-dimethylhexyl)-1-methyltriazole
CID 107055110

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltriazol-4-yl)butan-2-amine?
The IUPAC name of 4-(1-methyltriazol-4-yl)butan-2-amine (CID 107044565) is 4-(1-methyltriazol-4-yl)butan-2-amine.
What is the SMILES notation for 4-(1-methyltriazol-4-yl)butan-2-amine?
The canonical SMILES for 4-(1-methyltriazol-4-yl)butan-2-amine is CC(N)CCc1cn(C)nn1.
What is the InChIKey of 4-(1-methyltriazol-4-yl)butan-2-amine?
The InChIKey is UKXWECMQWLKGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-6(8)3-4-7-5-11(2)10-9-7/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 4-(1-methyltriazol-4-yl)butan-2-amine?
4-(1-methyltriazol-4-yl)butan-2-amine has a molecular weight of 154.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltriazol-4-yl)butan-2-amine is sourced from PubChem (CID 107044565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).