N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide

C11H15N7O — CID 106304126

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide
SMILESCCn1cnnc1CNC(=O)c1cncc(NC)n1
InChIInChI=1S/C11H15N7O/c1-3-18-7-15-17-10(18)6-14-11(19)8-4-13-5-9(12-2)16-8/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,14,19)
InChIKeyOCMRTZDAISKWJZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.06
Rot. Bonds5

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide (PubChem CID 106304126) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide
PubChem CID106304126
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide
SMILESCCn1cnnc1CNC(=O)c1cncc(NC)n1
InChIInChI=1S/C11H15N7O/c1-3-18-7-15-17-10(18)6-14-11(19)8-4-13-5-9(12-2)16-8/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,14,19)
InChIKeyOCMRTZDAISKWJZ-UHFFFAOYSA-N
XLogP0.06
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 106304155
2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 106303977
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide
CID 106377315
6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 114035836
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
CID 106302459
N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide
CID 114035854
6-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazine-2-carboxamide
CID 114035852
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 103706853
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717599
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47210781
4-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide;dihydrochloride
CID 119855022

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide (CID 106304126) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide is CCn1cnnc1CNC(=O)c1cncc(NC)n1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide?
The InChIKey is OCMRTZDAISKWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-3-18-7-15-17-10(18)6-14-11(19)8-4-13-5-9(12-2)16-8/h4-5,7H,3,6H2,1-2H3,(H,12,16)(H,14,19).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 106304126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).