(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide

C14H16Cl2N6O — CID 157428189

IUPAC(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide
SMILESNCc1nccnc1Cl.O=C(NCc1nccnc1Cl)C1CC1
InChIInChI=1S/C9H10ClN3O.C5H6ClN3/c10-8-7(11-3-4-12-8)5-13-9(14)6-1-2-6;6-5-4(3-7)8-1-2-9-5/h3-4,6H,1-2,5H2,(H,13,14);1-2H,3,7H2
InChIKeyBQFDPWAXJYRLNH-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.74
Rot. Bonds4

About (3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide

(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 157428189) has the molecular formula C14H16Cl2N6O and a molecular weight of 355.23 g/mol. Its IUPAC name is (3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound Name(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide
PubChem CID157428189
Molecular FormulaC14H16Cl2N6O
Molecular Weight355.23 g/mol
Exact Mass354.08
IUPAC Name(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide
SMILESNCc1nccnc1Cl.O=C(NCc1nccnc1Cl)C1CC1
InChIInChI=1S/C9H10ClN3O.C5H6ClN3/c10-8-7(11-3-4-12-8)5-13-9(14)6-1-2-6;6-5-4(3-7)8-1-2-9-5/h3-4,6H,1-2,5H2,(H,13,14);1-2H,3,7H2
InChIKeyBQFDPWAXJYRLNH-UHFFFAOYSA-N
XLogP1.74
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate
CID 121454905
(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide
CID 168934298
(7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide
CID 90283177
tert-butyl (3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;sulfane
CID 161175121
N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide
CID 121456295
3-[(3-chloropyrazin-2-yl)methylcarbamoyl]-1-ethylbicyclo[3.1.0]hexane-6-carboxylic acid
CID 121455847
1-N,4-N-bis(isoquinolin-1-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 167988720
(2S,5R)-2-benzyl-5-[(3-chloropyrazin-2-yl)methylcarbamoyl]-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 90283616
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 62952159
4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexan-1-ol;[4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl] acetate;[4-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl] acetate;[4-(8-chloroimidazo[1,5-a]pyrazin-3-yl)cyclohexyl] acetate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;[4-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclohexyl] acetate;N-[(3-chloropyrazin-2-yl)methyl]-4-hydroxycyclohexane-1-carboxamide
CID 158326895
4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63824173

Frequently Asked Questions

What is the IUPAC name of (3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of (3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide (CID 157428189) is (3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for (3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for (3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide is NCc1nccnc1Cl.O=C(NCc1nccnc1Cl)C1CC1.
What is the InChIKey of (3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is BQFDPWAXJYRLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O.C5H6ClN3/c10-8-7(11-3-4-12-8)5-13-9(14)6-1-2-6;6-5-4(3-7)8-1-2-9-5/h3-4,6H,1-2,5H2,(H,13,14);1-2H,3,7H2.
What are the key properties of (3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide?
(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 355.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 157428189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).