3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid

C10H13N3O3 — CID 115455530

IUPAC3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCC1(CO)CC1
InChIInChI=1S/C10H13N3O3/c14-6-10(1-2-10)5-13-8-7(9(15)16)11-3-4-12-8/h3-4,14H,1-2,5-6H2,(H,12,13)(H,15,16)
InChIKeyXUJRXTTVZYZRQT-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.36
Rot. Bonds5

About 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid

3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 115455530) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
PubChem CID115455530
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCC1(CO)CC1
InChIInChI=1S/C10H13N3O3/c14-6-10(1-2-10)5-13-8-7(9(15)16)11-3-4-12-8/h3-4,14H,1-2,5-6H2,(H,12,13)(H,15,16)
InChIKeyXUJRXTTVZYZRQT-UHFFFAOYSA-N
XLogP0.36
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 115363234
3-(4-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 106844182
3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid
CID 62711461
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one
CID 113313327
1-tert-butyl-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazin-2-one
CID 113313353
5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455525
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 115455529
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinazoline-7-carboxylic acid
CID 115455108
3-[(4-hydroxycyclohexyl)methylamino]pyrazine-2-carboxylic acid
CID 114148596
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyridine-3-carbonitrile
CID 115455046
[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 115360754
[1-[(pyrazin-2-ylamino)methyl]cyclopentyl]methanol
CID 115360623

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid (CID 115455530) is 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCC1(CO)CC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is XUJRXTTVZYZRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-6-10(1-2-10)5-13-8-7(9(15)16)11-3-4-12-8/h3-4,14H,1-2,5-6H2,(H,12,13)(H,15,16).
What are the key properties of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid?
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 115455530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).