3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide

C12H15N5O — CID 113412348

IUPAC3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide
SMILESCc1c(N)cccc1C(=O)NCCn1ccnn1
InChIInChI=1S/C12H15N5O/c1-9-10(3-2-4-11(9)13)12(18)14-5-7-17-8-6-15-16-17/h2-4,6,8H,5,7,13H2,1H3,(H,14,18)
InChIKeyKFJDPCBLSFCXRC-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.60
Rot. Bonds4

About 3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide

3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide (PubChem CID 113412348) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide
PubChem CID113412348
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide
SMILESCc1c(N)cccc1C(=O)NCCn1ccnn1
InChIInChI=1S/C12H15N5O/c1-9-10(3-2-4-11(9)13)12(18)14-5-7-17-8-6-15-16-17/h2-4,6,8H,5,7,13H2,1H3,(H,14,18)
InChIKeyKFJDPCBLSFCXRC-UHFFFAOYSA-N
XLogP0.60
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide
CID 113412359
2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 166387441
4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113413228
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
2-methyl-3-N-[3-(triazol-1-yl)propyl]benzene-1,3-diamine
CID 113412414
3-hydrazinyl-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 105072445
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772
2-amino-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 113413222
4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide
CID 113412354
3-fluoro-2-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 105387292
2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 50981357
4-bromo-2-sulfanyl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 107034780

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide (CID 113412348) is 3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide is Cc1c(N)cccc1C(=O)NCCn1ccnn1.
What is the InChIKey of 3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide?
The InChIKey is KFJDPCBLSFCXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-10(3-2-4-11(9)13)12(18)14-5-7-17-8-6-15-16-17/h2-4,6,8H,5,7,13H2,1H3,(H,14,18).
What are the key properties of 3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide?
3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide has a molecular weight of 245.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 113412348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).