2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride

C6H11ClN4O2 — CID 154852937

IUPAC2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride
SMILESCNC(C(=O)O)c1cnn(C)n1.Cl
InChIInChI=1S/C6H10N4O2.ClH/c1-7-5(6(11)12)4-3-8-10(2)9-4;/h3,5,7H,1-2H3,(H,11,12);1H
InChIKeyXVNGSQXHLFXGRE-UHFFFAOYSA-N
MW206.63 g/mol
LogP-0.42
Rot. Bonds3

About 2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride

2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride (PubChem CID 154852937) has the molecular formula C6H11ClN4O2 and a molecular weight of 206.63 g/mol. Its IUPAC name is 2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride
PubChem CID154852937
Molecular FormulaC6H11ClN4O2
Molecular Weight206.63 g/mol
Exact Mass206.06
IUPAC Name2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride
SMILESCNC(C(=O)O)c1cnn(C)n1.Cl
InChIInChI=1S/C6H10N4O2.ClH/c1-7-5(6(11)12)4-3-8-10(2)9-4;/h3,5,7H,1-2H3,(H,11,12);1H
InChIKeyXVNGSQXHLFXGRE-UHFFFAOYSA-N
XLogP-0.42
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(2-methyltriazol-4-yl)propanoic acid
CID 130613907
1-(2-methyltriazol-4-yl)ethanol
CID 130521764
N-methyl-1-(2-methyltriazol-4-yl)prop-2-yn-1-amine
CID 130521607
2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
CID 66140041
cyclohexyl-(2-methyltriazol-4-yl)methanol
CID 130521712
2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid
CID 20699086
N,N-dimethyl-1-(2-methyltriazol-4-yl)ethane-1,2-diamine
CID 131029070
N-hydroxy-2-methyltriazole-4-carboxamide
CID 137244792
2,3-dimethyl-1-(2-methyltriazol-4-yl)butan-1-one
CID 130603531
(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid
CID 93280068
[2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine
CID 130603794
2-(methylamino)-2-(5H-pyrido[4,3-b]indol-8-yl)acetic acid
CID 116985921

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride (CID 154852937) is 2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride is CNC(C(=O)O)c1cnn(C)n1.Cl.
What is the InChIKey of 2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride?
The InChIKey is XVNGSQXHLFXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2.ClH/c1-7-5(6(11)12)4-3-8-10(2)9-4;/h3,5,7H,1-2H3,(H,11,12);1H.
What are the key properties of 2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride?
2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride has a molecular weight of 206.63 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(2-methyltriazol-4-yl)acetic acid;hydrochloride is sourced from PubChem (CID 154852937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).