3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide

C15H15N5O — CID 64518259

IUPAC3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H15N5O/c1-20(8-14-17-9-18-19-14)15(21)12-6-10-4-2-3-5-11(10)7-13(12)16/h2-7,9H,8,16H2,1H3,(H,17,18,19)
InChIKeyZFZAUZWFQZJFIZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.81
Rot. Bonds3

About 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide

3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide (PubChem CID 64518259) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
PubChem CID64518259
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H15N5O/c1-20(8-14-17-9-18-19-14)15(21)12-6-10-4-2-3-5-11(10)7-13(12)16/h2-7,9H,8,16H2,1H3,(H,17,18,19)
InChIKeyZFZAUZWFQZJFIZ-UHFFFAOYSA-N
XLogP1.81
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide
CID 64518344
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840
5-amino-2-(dimethylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512131
3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512231
5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 107185300
2,4,5-trifluoro-3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512254
2-hydroxy-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512827
N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64517704
5-amino-2-fluoro-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103296536
2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510726
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091
2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113379111

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide (CID 64518259) is 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide?
The InChIKey is ZFZAUZWFQZJFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20(8-14-17-9-18-19-14)15(21)12-6-10-4-2-3-5-11(10)7-13(12)16/h2-7,9H,8,16H2,1H3,(H,17,18,19).
What are the key properties of 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide?
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 64518259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).