3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide

C9H15N5O — CID 115319430

IUPAC3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide
SMILESCN(CCCN)c1nccnc1C(N)=O
InChIInChI=1S/C9H15N5O/c1-14(6-2-3-10)9-7(8(11)15)12-4-5-13-9/h4-5H,2-3,6,10H2,1H3,(H2,11,15)
InChIKeyHKDUDFJRUBSRPQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.64
Rot. Bonds5

About 3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide

3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide (PubChem CID 115319430) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide
PubChem CID115319430
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide
SMILESCN(CCCN)c1nccnc1C(N)=O
InChIInChI=1S/C9H15N5O/c1-14(6-2-3-10)9-7(8(11)15)12-4-5-13-9/h4-5H,2-3,6,10H2,1H3,(H2,11,15)
InChIKeyHKDUDFJRUBSRPQ-UHFFFAOYSA-N
XLogP-0.64
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide?
The IUPAC name of 3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide (CID 115319430) is 3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide is CN(CCCN)c1nccnc1C(N)=O.
What is the InChIKey of 3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide?
The InChIKey is HKDUDFJRUBSRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14(6-2-3-10)9-7(8(11)15)12-4-5-13-9/h4-5H,2-3,6,10H2,1H3,(H2,11,15).
What are the key properties of 3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide?
3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(methyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 115319430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).