3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile

C14H13N7 — CID 168948384

IUPAC3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile
SMILESCn1nccc1-c1cc(-c2ccnn2C)c(N)c(C#N)n1
InChIInChI=1S/C14H13N7/c1-20-12(3-5-17-20)9-7-10(13-4-6-18-21(13)2)19-11(8-15)14(9)16/h3-7H,16H2,1-2H3
InChIKeyDCFCJADYXRDTMW-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.34
Rot. Bonds2

About 3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile

3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile (PubChem CID 168948384) has the molecular formula C14H13N7 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile
PubChem CID168948384
Molecular FormulaC14H13N7
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile
SMILESCn1nccc1-c1cc(-c2ccnn2C)c(N)c(C#N)n1
InChIInChI=1S/C14H13N7/c1-20-12(3-5-17-20)9-7-10(13-4-6-18-21(13)2)19-11(8-15)14(9)16/h3-7H,16H2,1-2H3
InChIKeyDCFCJADYXRDTMW-UHFFFAOYSA-N
XLogP1.34
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile (CID 168948384) is 3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile is Cn1nccc1-c1cc(-c2ccnn2C)c(N)c(C#N)n1.
What is the InChIKey of 3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile?
The InChIKey is DCFCJADYXRDTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7/c1-20-12(3-5-17-20)9-7-10(13-4-6-18-21(13)2)19-11(8-15)14(9)16/h3-7H,16H2,1-2H3.
What are the key properties of 3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile?
3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile has a molecular weight of 279.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 168948384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).