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

C8H12N4O — CID 130603335

IUPAC(2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone
SMILESCn1ncc(C(=O)C2CCCN2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-5-7(11-12)8(13)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3
InChIKeyPEFOJHJJPJKPTG-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.25
Rot. Bonds2

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

(2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone (PubChem CID 130603335) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is (2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone
PubChem CID130603335
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name(2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone
SMILESCn1ncc(C(=O)C2CCCN2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-5-7(11-12)8(13)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3
InChIKeyPEFOJHJJPJKPTG-UHFFFAOYSA-N
XLogP-0.25
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 ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone
CID 130603381
(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone
CID 116547731
N-cycloheptyl-2-methyltriazole-4-carboxamide
CID 110691433
N-hydroxy-2-methyltriazole-4-carboxamide
CID 137244792
N-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 119893081
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
(2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone
CID 83484821
1H-imidazol-5-yl(pyrrolidin-2-yl)methanone
CID 84731572
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124696076
(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547900
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone
CID 114668046
(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119304111

Frequently Asked Questions

What is the IUPAC name of (2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone (CID 130603335) is (2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone is Cn1ncc(C(=O)C2CCCN2)n1.
What is the InChIKey of (2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is PEFOJHJJPJKPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-10-5-7(11-12)8(13)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3.
What are the key properties of (2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone?
(2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 180.21 g/mol, XLogP of -0.25, 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-2-ylmethanone is sourced from PubChem (CID 130603335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).