1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride

C6H13ClN4 — CID 169407975

IUPAC1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride
SMILESCNCc1nc(C)nn1C.Cl
InChIInChI=1S/C6H12N4.ClH/c1-5-8-6(4-7-2)10(3)9-5;/h7H,4H2,1-3H3;1H
InChIKeyCAJKTPVIILIDGO-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.26
Rot. Bonds2

About 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride

1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride (PubChem CID 169407975) has the molecular formula C6H13ClN4 and a molecular weight of 176.65 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride
PubChem CID169407975
Molecular FormulaC6H13ClN4
Molecular Weight176.65 g/mol
Exact Mass176.08
IUPAC Name1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride
SMILESCNCc1nc(C)nn1C.Cl
InChIInChI=1S/C6H12N4.ClH/c1-5-8-6(4-7-2)10(3)9-5;/h7H,4H2,1-3H3;1H
InChIKeyCAJKTPVIILIDGO-UHFFFAOYSA-N
XLogP0.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride (CID 169407975) is 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride is CNCc1nc(C)nn1C.Cl.
What is the InChIKey of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is CAJKTPVIILIDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.ClH/c1-5-8-6(4-7-2)10(3)9-5;/h7H,4H2,1-3H3;1H.
What are the key properties of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride?
1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 169407975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).