5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid

C10H13N3O3 — CID 115455525

IUPAC5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC2(CO)CC2)cn1
InChIInChI=1S/C10H13N3O3/c14-6-10(1-2-10)5-13-8-4-11-7(3-12-8)9(15)16/h3-4,14H,1-2,5-6H2,(H,12,13)(H,15,16)
InChIKeyRGRUMLZXYPOCKL-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.36
Rot. Bonds5

About 5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid

5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 115455525) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
PubChem CID115455525
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC2(CO)CC2)cn1
InChIInChI=1S/C10H13N3O3/c14-6-10(1-2-10)5-13-8-4-11-7(3-12-8)9(15)16/h3-4,14H,1-2,5-6H2,(H,12,13)(H,15,16)
InChIKeyRGRUMLZXYPOCKL-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

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Related Compounds

5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218
5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid
CID 122055100
5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid
CID 122054843
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate
CID 115455097
[1-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 107874814
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455530
[1-[(pyrazin-2-ylamino)methyl]cyclopentyl]methanol
CID 115360623
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
5-[(2,2-diethyl-4-hydroxybutyl)amino]pyrazine-2-carboxylic acid
CID 122054100
5-[2-(3,3-difluorocyclobutyl)ethylamino]pyrazine-2-carboxylic acid
CID 122058141
5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid
CID 107372352

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid (CID 115455525) is 5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCC2(CO)CC2)cn1.
What is the InChIKey of 5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is RGRUMLZXYPOCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-6-10(1-2-10)5-13-8-4-11-7(3-12-8)9(15)16/h3-4,14H,1-2,5-6H2,(H,12,13)(H,15,16).
What are the key properties of 5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid?
5-[[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 5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 115455525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).