2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine

C7H14N4 — CID 64673278

IUPAC2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1ncnc1CC(C)(C)N
InChIInChI=1S/C7H14N4/c1-7(2,8)4-6-9-5-10-11(6)3/h5H,4,8H2,1-3H3
InChIKeyIGGMVBRSSRXXHJ-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.09
Rot. Bonds2

About 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine

2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 64673278) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID64673278
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCn1ncnc1CC(C)(C)N
InChIInChI=1S/C7H14N4/c1-7(2,8)4-6-9-5-10-11(6)3/h5H,4,8H2,1-3H3
InChIKeyIGGMVBRSSRXXHJ-UHFFFAOYSA-N
XLogP0.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine (CID 64673278) is 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is Cn1ncnc1CC(C)(C)N.
What is the InChIKey of 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is IGGMVBRSSRXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-7(2,8)4-6-9-5-10-11(6)3/h5H,4,8H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine?
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 154.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 64673278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).