6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile

C14H15N5S — CID 18150125

IUPAC6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCC(C)c1nnc(Sc2ccc(C#N)cn2)n1C1CC1
InChIInChI=1S/C14H15N5S/c1-9(2)13-17-18-14(19(13)11-4-5-11)20-12-6-3-10(7-15)8-16-12/h3,6,8-9,11H,4-5H2,1-2H3
InChIKeyFTGAFRZSPZNKHP-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.15
Rot. Bonds4

About 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile

6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 18150125) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID18150125
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCC(C)c1nnc(Sc2ccc(C#N)cn2)n1C1CC1
InChIInChI=1S/C14H15N5S/c1-9(2)13-17-18-14(19(13)11-4-5-11)20-12-6-3-10(7-15)8-16-12/h3,6,8-9,11H,4-5H2,1-2H3
InChIKeyFTGAFRZSPZNKHP-UHFFFAOYSA-N
XLogP3.15
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile (CID 18150125) is 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile is CC(C)c1nnc(Sc2ccc(C#N)cn2)n1C1CC1.
What is the InChIKey of 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is FTGAFRZSPZNKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-9(2)13-17-18-14(19(13)11-4-5-11)20-12-6-3-10(7-15)8-16-12/h3,6,8-9,11H,4-5H2,1-2H3.
What are the key properties of 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 285.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 18150125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).