1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine

C9H18N4 — CID 122630476

IUPAC1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine
SMILESCCC(C)(N)Cn1nc(C)nc1C
InChIInChI=1S/C9H18N4/c1-5-9(4,10)6-13-8(3)11-7(2)12-13/h5-6,10H2,1-4H3
InChIKeyYTQUYSHJVIMIQM-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.02
Rot. Bonds3

About 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine

1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine (PubChem CID 122630476) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine
PubChem CID122630476
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine
SMILESCCC(C)(N)Cn1nc(C)nc1C
InChIInChI=1S/C9H18N4/c1-5-9(4,10)6-13-8(3)11-7(2)12-13/h5-6,10H2,1-4H3
InChIKeyYTQUYSHJVIMIQM-UHFFFAOYSA-N
XLogP1.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol
CID 64809255
2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propan-1-ol
CID 64811768
3,5-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]-1,2,4-triazole
CID 130493015
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine
CID 61345503
ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate
CID 63921481
4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 61320183
N-tert-butyl-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]prop-2-en-1-amine
CID 103072095
2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine
CID 103482322
[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62446597
1,5-bis(3,5-dimethyl-1,2,4-triazol-1-yl)pentan-3-one
CID 174840503
2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid;dihydrochloride
CID 91667864
1-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butan-2-ol
CID 64821649

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine?
The IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine (CID 122630476) is 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine?
The canonical SMILES for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine is CCC(C)(N)Cn1nc(C)nc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine?
The InChIKey is YTQUYSHJVIMIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-5-9(4,10)6-13-8(3)11-7(2)12-13/h5-6,10H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine?
1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine has a molecular weight of 182.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 122630476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).