4-(pyrrolidin-1-ylmethyl)-2H-triazole

C7H12N4 — CID 66848842

IUPAC4-(pyrrolidin-1-ylmethyl)-2H-triazole
SMILESc1n[nH]nc1CN1CCCC1
InChIInChI=1S/C7H12N4/c1-2-4-11(3-1)6-7-5-8-10-9-7/h5H,1-4,6H2,(H,8,9,10)
InChIKeyYEFVJZWLTPUIPR-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.40
Rot. Bonds2

About 4-(pyrrolidin-1-ylmethyl)-2H-triazole

4-(pyrrolidin-1-ylmethyl)-2H-triazole (PubChem CID 66848842) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)-2H-triazole.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)-2H-triazole
PubChem CID66848842
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-(pyrrolidin-1-ylmethyl)-2H-triazole
SMILESc1n[nH]nc1CN1CCCC1
InChIInChI=1S/C7H12N4/c1-2-4-11(3-1)6-7-5-8-10-9-7/h5H,1-4,6H2,(H,8,9,10)
InChIKeyYEFVJZWLTPUIPR-UHFFFAOYSA-N
XLogP0.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)-2H-triazole?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)-2H-triazole (CID 66848842) is 4-(pyrrolidin-1-ylmethyl)-2H-triazole.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)-2H-triazole?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)-2H-triazole is c1n[nH]nc1CN1CCCC1.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)-2H-triazole?
The InChIKey is YEFVJZWLTPUIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-4-11(3-1)6-7-5-8-10-9-7/h5H,1-4,6H2,(H,8,9,10).
What are the key properties of 4-(pyrrolidin-1-ylmethyl)-2H-triazole?
4-(pyrrolidin-1-ylmethyl)-2H-triazole has a molecular weight of 152.20 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)-2H-triazole is sourced from PubChem (CID 66848842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).