4-(3,4-dihydropyrazol-2-yl)-2H-triazole

C5H7N5 — CID 174361598

IUPAC4-(3,4-dihydropyrazol-2-yl)-2H-triazole
SMILESC1=NN(c2cn[nH]n2)CC1
InChIInChI=1S/C5H7N5/c1-2-7-10(3-1)5-4-6-9-8-5/h2,4H,1,3H2,(H,6,8,9)
InChIKeyUMRPCPIGUSRYMS-UHFFFAOYSA-N
MW137.15 g/mol
LogP0.00
Rot. Bonds1

About 4-(3,4-dihydropyrazol-2-yl)-2H-triazole

4-(3,4-dihydropyrazol-2-yl)-2H-triazole (PubChem CID 174361598) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 4-(3,4-dihydropyrazol-2-yl)-2H-triazole.

Molecular Properties

Compound Name4-(3,4-dihydropyrazol-2-yl)-2H-triazole
PubChem CID174361598
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name4-(3,4-dihydropyrazol-2-yl)-2H-triazole
SMILESC1=NN(c2cn[nH]n2)CC1
InChIInChI=1S/C5H7N5/c1-2-7-10(3-1)5-4-6-9-8-5/h2,4H,1,3H2,(H,6,8,9)
InChIKeyUMRPCPIGUSRYMS-UHFFFAOYSA-N
XLogP0.00
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydropyrazol-2-yl)-2H-triazole?
The IUPAC name of 4-(3,4-dihydropyrazol-2-yl)-2H-triazole (CID 174361598) is 4-(3,4-dihydropyrazol-2-yl)-2H-triazole.
What is the SMILES notation for 4-(3,4-dihydropyrazol-2-yl)-2H-triazole?
The canonical SMILES for 4-(3,4-dihydropyrazol-2-yl)-2H-triazole is C1=NN(c2cn[nH]n2)CC1.
What is the InChIKey of 4-(3,4-dihydropyrazol-2-yl)-2H-triazole?
The InChIKey is UMRPCPIGUSRYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c1-2-7-10(3-1)5-4-6-9-8-5/h2,4H,1,3H2,(H,6,8,9).
What are the key properties of 4-(3,4-dihydropyrazol-2-yl)-2H-triazole?
4-(3,4-dihydropyrazol-2-yl)-2H-triazole has a molecular weight of 137.15 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydropyrazol-2-yl)-2H-triazole is sourced from PubChem (CID 174361598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).