4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole

C8H9N5 — CID 136935234

IUPAC4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole
SMILESc1n[nH]cc1-c1nncn1C1CC1
InChIInChI=1S/C8H9N5/c1-2-7(1)13-5-11-12-8(13)6-3-9-10-4-6/h3-5,7H,1-2H2,(H,9,10)
InChIKeyXDDQTMMTDMTIPZ-UHFFFAOYSA-N
MW175.20 g/mol
LogP1.00
Rot. Bonds2

About 4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole

4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole (PubChem CID 136935234) has the molecular formula C8H9N5 and a molecular weight of 175.20 g/mol. Its IUPAC name is 4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole
PubChem CID136935234
Molecular FormulaC8H9N5
Molecular Weight175.20 g/mol
Exact Mass175.09
IUPAC Name4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole
SMILESc1n[nH]cc1-c1nncn1C1CC1
InChIInChI=1S/C8H9N5/c1-2-7(1)13-5-11-12-8(13)6-3-9-10-4-6/h3-5,7H,1-2H2,(H,9,10)
InChIKeyXDDQTMMTDMTIPZ-UHFFFAOYSA-N
XLogP1.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole (CID 136935234) is 4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole is c1n[nH]cc1-c1nncn1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole?
The InChIKey is XDDQTMMTDMTIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-7(1)13-5-11-12-8(13)6-3-9-10-4-6/h3-5,7H,1-2H2,(H,9,10).
What are the key properties of 4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole?
4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole has a molecular weight of 175.20 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 136935234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).