5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one

C14H15N7O2 — CID 146044587

IUPAC5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(C(=O)c1ccnc(-n3cnnc3)c1)C2
InChIInChI=1S/C14H15N7O2/c1-19-13(23)16-5-14(19)6-20(7-14)12(22)10-2-3-15-11(4-10)21-8-17-18-9-21/h2-4,8-9H,5-7H2,1H3,(H,16,23)
InChIKeyWOAZWIKNTWCQPE-UHFFFAOYSA-N
MW313.32 g/mol
LogP-0.49
Rot. Bonds2

About 5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one

5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one (PubChem CID 146044587) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one
PubChem CID146044587
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one
SMILESCN1C(=O)NCC12CN(C(=O)c1ccnc(-n3cnnc3)c1)C2
InChIInChI=1S/C14H15N7O2/c1-19-13(23)16-5-14(19)6-20(7-14)12(22)10-2-3-15-11(4-10)21-8-17-18-9-21/h2-4,8-9H,5-7H2,1H3,(H,16,23)
InChIKeyWOAZWIKNTWCQPE-UHFFFAOYSA-N
XLogP-0.49
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one
CID 154567960
[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 133111868
2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 146040645
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 72909280
2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 155959797
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 70714057
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 74245609
N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890507
N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890492
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95552748
N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide
CID 146044642
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 155508884

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one?
The IUPAC name of 5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one (CID 146044587) is 5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one is CN1C(=O)NCC12CN(C(=O)c1ccnc(-n3cnnc3)c1)C2.
What is the InChIKey of 5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one?
The InChIKey is WOAZWIKNTWCQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-19-13(23)16-5-14(19)6-20(7-14)12(22)10-2-3-15-11(4-10)21-8-17-18-9-21/h2-4,8-9H,5-7H2,1H3,(H,16,23).
What are the key properties of 5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one?
5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one has a molecular weight of 313.32 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-2,5,7-triazaspiro[3.4]octan-6-one is sourced from PubChem (CID 146044587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).