3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide

C10H17N5O — CID 65193004

IUPAC3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide
SMILESCC(C)C(CN)Nc1nccnc1C(N)=O
InChIInChI=1S/C10H17N5O/c1-6(2)7(5-11)15-10-8(9(12)16)13-3-4-14-10/h3-4,6-7H,5,11H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyZBNDZCWMPUQVGF-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.03
Rot. Bonds5

About 3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide

3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide (PubChem CID 65193004) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide
PubChem CID65193004
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide
SMILESCC(C)C(CN)Nc1nccnc1C(N)=O
InChIInChI=1S/C10H17N5O/c1-6(2)7(5-11)15-10-8(9(12)16)13-3-4-14-10/h3-4,6-7H,5,11H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyZBNDZCWMPUQVGF-UHFFFAOYSA-N
XLogP-0.03
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide (CID 65193004) is 3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide is CC(C)C(CN)Nc1nccnc1C(N)=O.
What is the InChIKey of 3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide?
The InChIKey is ZBNDZCWMPUQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-6(2)7(5-11)15-10-8(9(12)16)13-3-4-14-10/h3-4,6-7H,5,11H2,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of 3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide?
3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 65193004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).