(2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone

C8H12N4O — CID 130603381

IUPAC(2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone
SMILESCn1ncc(C(=O)C2CCNC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-5-7(11-12)8(13)6-2-3-9-4-6/h5-6,9H,2-4H2,1H3
InChIKeyUOEASDPUQAQTSY-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.39
Rot. Bonds2

About (2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone

(2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone (PubChem CID 130603381) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is (2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone
PubChem CID130603381
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name(2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone
SMILESCn1ncc(C(=O)C2CCNC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-5-7(11-12)8(13)6-2-3-9-4-6/h5-6,9H,2-4H2,1H3
InChIKeyUOEASDPUQAQTSY-UHFFFAOYSA-N
XLogP-0.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone (CID 130603381) is (2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone is Cn1ncc(C(=O)C2CCNC2)n1.
What is the InChIKey of (2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is UOEASDPUQAQTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-10-5-7(11-12)8(13)6-2-3-9-4-6/h5-6,9H,2-4H2,1H3.
What are the key properties of (2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone?
(2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 180.21 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 130603381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).