N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide

C11H15N7O — CID 107376425

IUPACN-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2ncnn2C)cn1
InChIInChI=1S/C11H15N7O/c1-3-4-12-9-6-13-8(5-14-9)10(19)17-11-15-7-16-18(11)2/h5-7H,3-4H2,1-2H3,(H,12,14)(H,15,16,17,19)
InChIKeyOWAOXTAKVLPBRP-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.68
Rot. Bonds5

About N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide

N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107376425) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107376425
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2ncnn2C)cn1
InChIInChI=1S/C11H15N7O/c1-3-4-12-9-6-13-8(5-14-9)10(19)17-11-15-7-16-18(11)2/h5-7H,3-4H2,1-2H3,(H,12,14)(H,15,16,17,19)
InChIKeyOWAOXTAKVLPBRP-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374315
5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide
CID 107374526
N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374336
N-(3-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377262
N-(6-methyl-3-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376409
N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375986
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376316
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107643075
N-(4-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271147

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide (CID 107376425) is N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)Nc2ncnn2C)cn1.
What is the InChIKey of N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is OWAOXTAKVLPBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-3-4-12-9-6-13-8(5-14-9)10(19)17-11-15-7-16-18(11)2/h5-7H,3-4H2,1-2H3,(H,12,14)(H,15,16,17,19).
What are the key properties of N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide?
N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107376425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).