3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide

C11H10Cl3N5O — CID 64547327

IUPAC3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl3N5O/c12-6-4-16-10(9(14)8(6)13)11(20)15-3-1-2-7-17-5-18-19-7/h4-5H,1-3H2,(H,15,20)(H,17,18,19)
InChIKeyOLNCSGKTLMDQOM-UHFFFAOYSA-N
MW334.59 g/mol
LogP2.52
Rot. Bonds5

About 3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide

3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide (PubChem CID 64547327) has the molecular formula C11H10Cl3N5O and a molecular weight of 334.59 g/mol. Its IUPAC name is 3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
PubChem CID64547327
Molecular FormulaC11H10Cl3N5O
Molecular Weight334.59 g/mol
Exact Mass333.00
IUPAC Name3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H10Cl3N5O/c12-6-4-16-10(9(14)8(6)13)11(20)15-3-1-2-7-17-5-18-19-7/h4-5H,1-3H2,(H,15,20)(H,17,18,19)
InChIKeyOLNCSGKTLMDQOM-UHFFFAOYSA-N
XLogP2.52
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.59
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64547910
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
5-chloro-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 115532376
2-chloro-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 106491058
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546919
6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
CID 64523165
N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide
CID 64546872
5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546656
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
1-(3,4-dichlorophenyl)-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
CID 64529659
2-(4-chlorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64517612

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide (CID 64547327) is 3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide is O=C(NCCCc1ncn[nH]1)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide?
The InChIKey is OLNCSGKTLMDQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3N5O/c12-6-4-16-10(9(14)8(6)13)11(20)15-3-1-2-7-17-5-18-19-7/h4-5H,1-3H2,(H,15,20)(H,17,18,19).
What are the key properties of 3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide?
3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide has a molecular weight of 334.59 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 64547327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).