3,5-diamino-6-chloropyrazine-2-carboxamide

C5H6ClN5O — CID 604343

IUPAC3,5-diamino-6-chloropyrazine-2-carboxamide
SMILESNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C5H6ClN5O/c6-2-4(8)11-3(7)1(10-2)5(9)12/h(H2,9,12)(H4,7,8,11)
InChIKeyUYTQEWLAYXCJEC-UHFFFAOYSA-N
MW187.59 g/mol
LogP-0.61
Rot. Bonds1

About 3,5-diamino-6-chloropyrazine-2-carboxamide

3,5-diamino-6-chloropyrazine-2-carboxamide (PubChem CID 604343) has the molecular formula C5H6ClN5O and a molecular weight of 187.59 g/mol. Its IUPAC name is 3,5-diamino-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloropyrazine-2-carboxamide
PubChem CID604343
Molecular FormulaC5H6ClN5O
Molecular Weight187.59 g/mol
Exact Mass187.03
IUPAC Name3,5-diamino-6-chloropyrazine-2-carboxamide
SMILESNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C5H6ClN5O/c6-2-4(8)11-3(7)1(10-2)5(9)12/h(H2,9,12)(H4,7,8,11)
InChIKeyUYTQEWLAYXCJEC-UHFFFAOYSA-N
XLogP-0.61
TPSA120.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloropyrazine-2-carboxamide (CID 604343) is 3,5-diamino-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloropyrazine-2-carboxamide is NC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-chloropyrazine-2-carboxamide?
The InChIKey is UYTQEWLAYXCJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN5O/c6-2-4(8)11-3(7)1(10-2)5(9)12/h(H2,9,12)(H4,7,8,11).
What are the key properties of 3,5-diamino-6-chloropyrazine-2-carboxamide?
3,5-diamino-6-chloropyrazine-2-carboxamide has a molecular weight of 187.59 g/mol, XLogP of -0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 604343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).