3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile

C12H14N6 — CID 133284444

IUPAC3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile
SMILESCCN(Cc1cnn(C)c1)c1nccnc1C#N
InChIInChI=1S/C12H14N6/c1-3-18(9-10-7-16-17(2)8-10)12-11(6-13)14-4-5-15-12/h4-5,7-8H,3,9H2,1-2H3
InChIKeyORBDULFJUCNJNM-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.11
Rot. Bonds4

About 3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile

3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile (PubChem CID 133284444) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile
PubChem CID133284444
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile
SMILESCCN(Cc1cnn(C)c1)c1nccnc1C#N
InChIInChI=1S/C12H14N6/c1-3-18(9-10-7-16-17(2)8-10)12-11(6-13)14-4-5-15-12/h4-5,7-8H,3,9H2,1-2H3
InChIKeyORBDULFJUCNJNM-UHFFFAOYSA-N
XLogP1.11
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-diethyl-3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carbonitrile
CID 133360367
5-chloro-N-ethyl-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 100690694
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166225590
ethane;4-ethyl-1-methylpyrazole
CID 143829284
3-[methyl(propyl)amino]pyrazine-2-carbonitrile
CID 62685552
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline
CID 133276475
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
CID 62127234
3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389581
2-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119863711
3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 120503339
methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate
CID 100690645

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile (CID 133284444) is 3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile is CCN(Cc1cnn(C)c1)c1nccnc1C#N.
What is the InChIKey of 3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile?
The InChIKey is ORBDULFJUCNJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-3-18(9-10-7-16-17(2)8-10)12-11(6-13)14-4-5-15-12/h4-5,7-8H,3,9H2,1-2H3.
What are the key properties of 3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile?
3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile has a molecular weight of 242.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).