4-(3-methylpyrrolidin-3-yl)-2H-triazole

C7H12N4 — CID 83681969

IUPAC4-(3-methylpyrrolidin-3-yl)-2H-triazole
SMILESCC1(c2cn[nH]n2)CCNC1
InChIInChI=1S/C7H12N4/c1-7(2-3-8-5-7)6-4-9-11-10-6/h4,8H,2-3,5H2,1H3,(H,9,10,11)
InChIKeyWWEXGRCPJOYBBF-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.06
Rot. Bonds1

About 4-(3-methylpyrrolidin-3-yl)-2H-triazole

4-(3-methylpyrrolidin-3-yl)-2H-triazole (PubChem CID 83681969) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(3-methylpyrrolidin-3-yl)-2H-triazole.

Molecular Properties

Compound Name4-(3-methylpyrrolidin-3-yl)-2H-triazole
PubChem CID83681969
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-(3-methylpyrrolidin-3-yl)-2H-triazole
SMILESCC1(c2cn[nH]n2)CCNC1
InChIInChI=1S/C7H12N4/c1-7(2-3-8-5-7)6-4-9-11-10-6/h4,8H,2-3,5H2,1H3,(H,9,10,11)
InChIKeyWWEXGRCPJOYBBF-UHFFFAOYSA-N
XLogP0.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrrolidin-3-yl)-2H-triazole?
The IUPAC name of 4-(3-methylpyrrolidin-3-yl)-2H-triazole (CID 83681969) is 4-(3-methylpyrrolidin-3-yl)-2H-triazole.
What is the SMILES notation for 4-(3-methylpyrrolidin-3-yl)-2H-triazole?
The canonical SMILES for 4-(3-methylpyrrolidin-3-yl)-2H-triazole is CC1(c2cn[nH]n2)CCNC1.
What is the InChIKey of 4-(3-methylpyrrolidin-3-yl)-2H-triazole?
The InChIKey is WWEXGRCPJOYBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-7(2-3-8-5-7)6-4-9-11-10-6/h4,8H,2-3,5H2,1H3,(H,9,10,11).
What are the key properties of 4-(3-methylpyrrolidin-3-yl)-2H-triazole?
4-(3-methylpyrrolidin-3-yl)-2H-triazole has a molecular weight of 152.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrrolidin-3-yl)-2H-triazole is sourced from PubChem (CID 83681969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).