(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

C8H13N5O — CID 15294885

IUPAC(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCN1CCN(C(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C8H13N5O/c1-12-2-4-13(5-3-12)8(14)7-9-6-10-11-7/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyCFNRVXBPTREQJV-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.81
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 15294885) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID15294885
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCN1CCN(C(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C8H13N5O/c1-12-2-4-13(5-3-12)8(14)7-9-6-10-11-7/h6H,2-5H2,1H3,(H,9,10,11)
InChIKeyCFNRVXBPTREQJV-UHFFFAOYSA-N
XLogP-0.81
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-1,2,4-triazol-3-yl-N-(2-morpholin-4-ylethyl)carboxamide
CID 567711
1,1-diethyl-3-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 79162269
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-(2-fluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 90793360
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129261091
(3,3-difluoropiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 145336263
4-(1H-[1,2,4]Triazole-3-carbonyl)-piperazine-1-carboxylic acid ethyl ester
CID 544939
(3-amino-1H-1,2,4-triazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 55115435
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79041058
N-methyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 80361654
N-butyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 80369156
N-propyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 80369239

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 15294885) is (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is CN1CCN(C(=O)c2ncn[nH]2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is CFNRVXBPTREQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-12-2-4-13(5-3-12)8(14)7-9-6-10-11-7/h6H,2-5H2,1H3,(H,9,10,11).
What are the key properties of (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 195.23 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 15294885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).