1-methyl-5-(1H-pyrazol-5-yl)triazole

C6H7N5 — CID 173358547

IUPAC1-methyl-5-(1H-pyrazol-5-yl)triazole
SMILESCn1nncc1-c1ccn[nH]1
InChIInChI=1S/C6H7N5/c1-11-6(4-8-10-11)5-2-3-7-9-5/h2-4H,1H3,(H,7,9)
InChIKeySXAIOHGZZPAILC-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.21
Rot. Bonds1

About 1-methyl-5-(1H-pyrazol-5-yl)triazole

1-methyl-5-(1H-pyrazol-5-yl)triazole (PubChem CID 173358547) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 1-methyl-5-(1H-pyrazol-5-yl)triazole.

Molecular Properties

Compound Name1-methyl-5-(1H-pyrazol-5-yl)triazole
PubChem CID173358547
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name1-methyl-5-(1H-pyrazol-5-yl)triazole
SMILESCn1nncc1-c1ccn[nH]1
InChIInChI=1S/C6H7N5/c1-11-6(4-8-10-11)5-2-3-7-9-5/h2-4H,1H3,(H,7,9)
InChIKeySXAIOHGZZPAILC-UHFFFAOYSA-N
XLogP0.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1H-pyrazol-5-yl)triazole?
The IUPAC name of 1-methyl-5-(1H-pyrazol-5-yl)triazole (CID 173358547) is 1-methyl-5-(1H-pyrazol-5-yl)triazole.
What is the SMILES notation for 1-methyl-5-(1H-pyrazol-5-yl)triazole?
The canonical SMILES for 1-methyl-5-(1H-pyrazol-5-yl)triazole is Cn1nncc1-c1ccn[nH]1.
What is the InChIKey of 1-methyl-5-(1H-pyrazol-5-yl)triazole?
The InChIKey is SXAIOHGZZPAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-11-6(4-8-10-11)5-2-3-7-9-5/h2-4H,1H3,(H,7,9).
What are the key properties of 1-methyl-5-(1H-pyrazol-5-yl)triazole?
1-methyl-5-(1H-pyrazol-5-yl)triazole has a molecular weight of 149.16 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1H-pyrazol-5-yl)triazole is sourced from PubChem (CID 173358547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).