4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide

C14H17N9OS — CID 126835372

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide
SMILESCn1cnnc1N1CCN(C(=O)Nc2cn[nH]c2-c2nccs2)CC1
InChIInChI=1S/C14H17N9OS/c1-21-9-17-20-13(21)22-3-5-23(6-4-22)14(24)18-10-8-16-19-11(10)12-15-2-7-25-12/h2,7-9H,3-6H2,1H3,(H,16,19)(H,18,24)
InChIKeyZWSVBMJLQSIVOB-UHFFFAOYSA-N
MW359.42 g/mol
LogP1.02
Rot. Bonds3

About 4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide

4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide (PubChem CID 126835372) has the molecular formula C14H17N9OS and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide
PubChem CID126835372
Molecular FormulaC14H17N9OS
Molecular Weight359.42 g/mol
Exact Mass359.13
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide
SMILESCn1cnnc1N1CCN(C(=O)Nc2cn[nH]c2-c2nccs2)CC1
InChIInChI=1S/C14H17N9OS/c1-21-9-17-20-13(21)22-3-5-23(6-4-22)14(24)18-10-8-16-19-11(10)12-15-2-7-25-12/h2,7-9H,3-6H2,1H3,(H,16,19)(H,18,24)
InChIKeyZWSVBMJLQSIVOB-UHFFFAOYSA-N
XLogP1.02
TPSA107.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide (CID 126835372) is 4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide is Cn1cnnc1N1CCN(C(=O)Nc2cn[nH]c2-c2nccs2)CC1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide?
The InChIKey is ZWSVBMJLQSIVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N9OS/c1-21-9-17-20-13(21)22-3-5-23(6-4-22)14(24)18-10-8-16-19-11(10)12-15-2-7-25-12/h2,7-9H,3-6H2,1H3,(H,16,19)(H,18,24).
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide?
4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide has a molecular weight of 359.42 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 126835372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).