(2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone

C7H7N5O — CID 130572977

IUPAC(2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone
SMILESCn1ncnc1C(=O)c1cn[nH]c1
InChIInChI=1S/C7H7N5O/c1-12-7(8-4-11-12)6(13)5-2-9-10-3-5/h2-4H,1H3,(H,9,10)
InChIKeyHJTAQGCRWUMZGJ-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.23
Rot. Bonds2

About (2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone

(2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 130572977) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is (2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID130572977
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name(2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone
SMILESCn1ncnc1C(=O)c1cn[nH]c1
InChIInChI=1S/C7H7N5O/c1-12-7(8-4-11-12)6(13)5-2-9-10-3-5/h2-4H,1H3,(H,9,10)
InChIKeyHJTAQGCRWUMZGJ-UHFFFAOYSA-N
XLogP-0.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone (CID 130572977) is (2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone is Cn1ncnc1C(=O)c1cn[nH]c1.
What is the InChIKey of (2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is HJTAQGCRWUMZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c1-12-7(8-4-11-12)6(13)5-2-9-10-3-5/h2-4H,1H3,(H,9,10).
What are the key properties of (2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone?
(2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 177.17 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 130572977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).