N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide

C11H12N6O2 — CID 71706528

IUPACN-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESO=C(CCNC(=O)c1cnccn1)Nc1ncc[nH]1
InChIInChI=1S/C11H12N6O2/c18-9(17-11-15-5-6-16-11)1-2-14-10(19)8-7-12-3-4-13-8/h3-7H,1-2H2,(H,14,19)(H2,15,16,17,18)
InChIKeyYQWSWSUSOHOWJE-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.04
Rot. Bonds5

About N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide

N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 71706528) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID71706528
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC NameN-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESO=C(CCNC(=O)c1cnccn1)Nc1ncc[nH]1
InChIInChI=1S/C11H12N6O2/c18-9(17-11-15-5-6-16-11)1-2-14-10(19)8-7-12-3-4-13-8/h3-7H,1-2H2,(H,14,19)(H2,15,16,17,18)
InChIKeyYQWSWSUSOHOWJE-UHFFFAOYSA-N
XLogP-0.04
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide (CID 71706528) is N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide is O=C(CCNC(=O)c1cnccn1)Nc1ncc[nH]1.
What is the InChIKey of N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is YQWSWSUSOHOWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c18-9(17-11-15-5-6-16-11)1-2-14-10(19)8-7-12-3-4-13-8/h3-7H,1-2H2,(H,14,19)(H2,15,16,17,18).
What are the key properties of N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 260.26 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-ylamino)-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71706528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).