(2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride

C13H18ClN5O — CID 119293398

IUPAC(2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)N(C)Cc1cnn(-c2ccccc2)n1.Cl
InChIInChI=1S/C13H17N5O.ClH/c1-10(14)13(19)17(2)9-11-8-15-18(16-11)12-6-4-3-5-7-12;/h3-8,10H,9,14H2,1-2H3;1H/t10-;/m1./s1
InChIKeyMCSOONJDWZNDAX-HNCPQSOCSA-N
MW295.77 g/mol
LogP0.99
Rot. Bonds4

About (2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride

(2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride (PubChem CID 119293398) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride
PubChem CID119293398
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name(2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)N(C)Cc1cnn(-c2ccccc2)n1.Cl
InChIInChI=1S/C13H17N5O.ClH/c1-10(14)13(19)17(2)9-11-8-15-18(16-11)12-6-4-3-5-7-12;/h3-8,10H,9,14H2,1-2H3;1H/t10-;/m1./s1
InChIKeyMCSOONJDWZNDAX-HNCPQSOCSA-N
XLogP0.99
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-phenyltriazol-4-yl)methylamino]propanoic acid
CID 54959625
3-[[methyl-[(2-phenyltriazol-4-yl)methyl]carbamoyl]amino]propanoic acid
CID 122017669
1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea
CID 167933159
N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide
CID 155944287
3-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981009
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
3-methyl-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105077581
2-[ethyl-[3-[[methyl-[(2-phenyltriazol-4-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025383
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
2-[1-cyclopropylethyl(methyl)amino]-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 75461531
(2S)-1-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 94032264

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride (CID 119293398) is (2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride is C[C@@H](N)C(=O)N(C)Cc1cnn(-c2ccccc2)n1.Cl.
What is the InChIKey of (2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride?
The InChIKey is MCSOONJDWZNDAX-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H17N5O.ClH/c1-10(14)13(19)17(2)9-11-8-15-18(16-11)12-6-4-3-5-7-12;/h3-8,10H,9,14H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride?
(2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119293398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).