N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide

C11H12N6OS — CID 138048160

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1cc2cn[nH]c2s1
InChIInChI=1S/C11H12N6OS/c18-10(8-4-7-5-14-17-11(7)19-8)12-3-1-2-9-13-6-15-16-9/h4-6H,1-3H2,(H,12,18)(H,14,17)(H,13,15,16)
InChIKeyKGGAJXQLVDBJLY-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.11
Rot. Bonds5

About N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 138048160) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID138048160
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1cc2cn[nH]c2s1
InChIInChI=1S/C11H12N6OS/c18-10(8-4-7-5-14-17-11(7)19-8)12-3-1-2-9-13-6-15-16-9/h4-6H,1-3H2,(H,12,18)(H,14,17)(H,13,15,16)
InChIKeyKGGAJXQLVDBJLY-UHFFFAOYSA-N
XLogP1.11
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1-benzothiophene-2-carboxamide
CID 64519148
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
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
3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64547327
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
2,3,4,5-tetrafluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547700
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
5-chloro-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 115532376
4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
CID 64546330
6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
CID 64523165
6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546919

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide (CID 138048160) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide is O=C(NCCCc1ncn[nH]1)c1cc2cn[nH]c2s1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is KGGAJXQLVDBJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c18-10(8-4-7-5-14-17-11(7)19-8)12-3-1-2-9-13-6-15-16-9/h4-6H,1-3H2,(H,12,18)(H,14,17)(H,13,15,16).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 138048160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).