[1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid

C9H11N3O2 — CID 157434594

IUPAC[1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid
SMILESCc1cnc(C2(NC(=O)O)CC2)cn1
InChIInChI=1S/C9H11N3O2/c1-6-4-11-7(5-10-6)9(2-3-9)12-8(13)14/h4-5,12H,2-3H2,1H3,(H,13,14)
InChIKeyBQYHBFBNPCDNGW-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.04
Rot. Bonds2

About [1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid

[1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid (PubChem CID 157434594) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is [1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid
PubChem CID157434594
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name[1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid
SMILESCc1cnc(C2(NC(=O)O)CC2)cn1
InChIInChI=1S/C9H11N3O2/c1-6-4-11-7(5-10-6)9(2-3-9)12-8(13)14/h4-5,12H,2-3H2,1H3,(H,13,14)
InChIKeyBQYHBFBNPCDNGW-UHFFFAOYSA-N
XLogP1.04
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid?
The IUPAC name of [1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid (CID 157434594) is [1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid.
What is the SMILES notation for [1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid?
The canonical SMILES for [1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid is Cc1cnc(C2(NC(=O)O)CC2)cn1.
What is the InChIKey of [1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid?
The InChIKey is BQYHBFBNPCDNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-4-11-7(5-10-6)9(2-3-9)12-8(13)14/h4-5,12H,2-3H2,1H3,(H,13,14).
What are the key properties of [1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid?
[1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid has a molecular weight of 193.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methylpyrazin-2-yl)cyclopropyl]carbamic acid is sourced from PubChem (CID 157434594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).