(5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone

C8H13N5O — CID 82505407

IUPAC(5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
SMILESCc1n[nH]nc1C(=O)N1CCNCC1
InChIInChI=1S/C8H13N5O/c1-6-7(11-12-10-6)8(14)13-4-2-9-3-5-13/h9H,2-5H2,1H3,(H,10,11,12)
InChIKeyAOQCOMHGXCGNDJ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.84
Rot. Bonds1

About (5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone

(5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 82505407) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is (5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
PubChem CID82505407
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name(5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone
SMILESCc1n[nH]nc1C(=O)N1CCNCC1
InChIInChI=1S/C8H13N5O/c1-6-7(11-12-10-6)8(14)13-4-2-9-3-5-13/h9H,2-5H2,1H3,(H,10,11,12)
InChIKeyAOQCOMHGXCGNDJ-UHFFFAOYSA-N
XLogP-0.84
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Methyl-5-(trifluoromethyl)triazol-4-yl]-piperazin-1-ylmethanone
CID 141106874
piperazin-1-yl-[5-(trifluoromethyl)-2H-triazol-4-yl]methanone
CID 141153345
N-cyclopropyl-N-(2,2-difluoroethyl)-5-methyl-2H-triazole-4-carboxamide
CID 86819364
1,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-carboxamide
CID 120813635
1-[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 124206592
5-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 128985948
5-methyl-N-[(3R,6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535806
5-methyl-N-[(3S,6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535807
5-methyl-N-[(3R,6S)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535808
5-methyl-N-[(3S,6S)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 129535809
N-(2,2-difluoroethyl)-5-methyl-2H-triazole-4-carboxamide
CID 130703154
(3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone
CID 131207222

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone (CID 82505407) is (5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone is Cc1n[nH]nc1C(=O)N1CCNCC1.
What is the InChIKey of (5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is AOQCOMHGXCGNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-6-7(11-12-10-6)8(14)13-4-2-9-3-5-13/h9H,2-5H2,1H3,(H,10,11,12).
What are the key properties of (5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone?
(5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 195.23 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2H-triazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82505407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).