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

C7H15ClN4 — CID 47000789

IUPAC2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
SMILESCC(C)C(N)c1ncnn1C.Cl
InChIInChI=1S/C7H14N4.ClH/c1-5(2)6(8)7-9-4-10-11(7)3;/h4-6H,8H2,1-3H3;1H
InChIKeyLVRYQGLMOJOUSB-UHFFFAOYSA-N
MW190.68 g/mol
LogP0.89
Rot. Bonds2

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

2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride (PubChem CID 47000789) has the molecular formula C7H15ClN4 and a molecular weight of 190.68 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
PubChem CID47000789
Molecular FormulaC7H15ClN4
Molecular Weight190.68 g/mol
Exact Mass190.10
IUPAC Name2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
SMILESCC(C)C(N)c1ncnn1C.Cl
InChIInChI=1S/C7H14N4.ClH/c1-5(2)6(8)7-9-4-10-11(7)3;/h4-6H,8H2,1-3H3;1H
InChIKeyLVRYQGLMOJOUSB-UHFFFAOYSA-N
XLogP0.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.68
LogP ≤ 50.89
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-1-amine;hydrochloride?
The IUPAC name of 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride (CID 47000789) is 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride is CC(C)C(N)c1ncnn1C.Cl.
What is the InChIKey of 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is LVRYQGLMOJOUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4.ClH/c1-5(2)6(8)7-9-4-10-11(7)3;/h4-6H,8H2,1-3H3;1H.
What are the key properties of 2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride?
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 190.68 g/mol, XLogP of 0.89, 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-1-amine;hydrochloride is sourced from PubChem (CID 47000789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).