4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile

C14H17N7 — CID 156544456

IUPAC4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile
SMILESCc1cc(-n2ncc(CN3CCNCC3)n2)ncc1C#N
InChIInChI=1S/C14H17N7/c1-11-6-14(17-8-12(11)7-15)21-18-9-13(19-21)10-20-4-2-16-3-5-20/h6,8-9,16H,2-5,10H2,1H3
InChIKeyNLCZKWUDIYYTEW-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.25
Rot. Bonds3

About 4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile

4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile (PubChem CID 156544456) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile
PubChem CID156544456
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile
SMILESCc1cc(-n2ncc(CN3CCNCC3)n2)ncc1C#N
InChIInChI=1S/C14H17N7/c1-11-6-14(17-8-12(11)7-15)21-18-9-13(19-21)10-20-4-2-16-3-5-20/h6,8-9,16H,2-5,10H2,1H3
InChIKeyNLCZKWUDIYYTEW-UHFFFAOYSA-N
XLogP0.25
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile (CID 156544456) is 4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile is Cc1cc(-n2ncc(CN3CCNCC3)n2)ncc1C#N.
What is the InChIKey of 4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile?
The InChIKey is NLCZKWUDIYYTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-11-6-14(17-8-12(11)7-15)21-18-9-13(19-21)10-20-4-2-16-3-5-20/h6,8-9,16H,2-5,10H2,1H3.
What are the key properties of 4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile?
4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 156544456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).