3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole

C10H16N4 — CID 62720363

IUPAC3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
SMILESCn1nc(C2CC2)nc1C1CCCN1
InChIInChI=1S/C10H16N4/c1-14-10(8-3-2-6-11-8)12-9(13-14)7-4-5-7/h7-8,11H,2-6H2,1H3
InChIKeySPKZBHDKKNHFOK-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.12
Rot. Bonds2

About 3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole

3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole (PubChem CID 62720363) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
PubChem CID62720363
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
SMILESCn1nc(C2CC2)nc1C1CCCN1
InChIInChI=1S/C10H16N4/c1-14-10(8-3-2-6-11-8)12-9(13-14)7-4-5-7/h7-8,11H,2-6H2,1H3
InChIKeySPKZBHDKKNHFOK-UHFFFAOYSA-N
XLogP1.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole (CID 62720363) is 3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole is Cn1nc(C2CC2)nc1C1CCCN1.
What is the InChIKey of 3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole?
The InChIKey is SPKZBHDKKNHFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-14-10(8-3-2-6-11-8)12-9(13-14)7-4-5-7/h7-8,11H,2-6H2,1H3.
What are the key properties of 3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole?
3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole has a molecular weight of 192.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole is sourced from PubChem (CID 62720363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).