5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide

C7H9N7OS — CID 114913702

IUPAC5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)Nc2nnns2)n[nH]1
InChIInChI=1S/C7H9N7OS/c1-2-3-4-8-5(11-10-4)6(15)9-7-12-13-14-16-7/h2-3H2,1H3,(H,8,10,11)(H,9,12,14,15)
InChIKeyCNUGEJFBUDIHSP-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.26
Rot. Bonds4

About 5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide

5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114913702) has the molecular formula C7H9N7OS and a molecular weight of 239.26 g/mol. Its IUPAC name is 5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID114913702
Molecular FormulaC7H9N7OS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)Nc2nnns2)n[nH]1
InChIInChI=1S/C7H9N7OS/c1-2-3-4-8-5(11-10-4)6(15)9-7-12-13-14-16-7/h2-3H2,1H3,(H,8,10,11)(H,9,12,14,15)
InChIKeyCNUGEJFBUDIHSP-UHFFFAOYSA-N
XLogP0.26
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 104621207
N-(3-chloro-4-hydroxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107681627
N-(2-methoxyethoxy)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82721493
N-(2-methylprop-2-enyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114618480
3-amino-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 114912512
2-methyl-3-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 113415863
N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107593512
ethyl 5-propyl-1H-1,2,4-triazole-3-carboxylate
CID 63356019
5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide
CID 114159090
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106137463
6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914340
N-(3-fluoro-5-nitrophenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107335528

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide (CID 114913702) is 5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)Nc2nnns2)n[nH]1.
What is the InChIKey of 5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is CNUGEJFBUDIHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7OS/c1-2-3-4-8-5(11-10-4)6(15)9-7-12-13-14-16-7/h2-3H2,1H3,(H,8,10,11)(H,9,12,14,15).
What are the key properties of 5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide?
5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 239.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(thiatriazol-5-yl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114913702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).