N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide

C18H21N7O2 — CID 126789083

IUPACN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCOCc1nc2n(n1)CCCC2NC(=O)c1ccc(-n2cncn2)cc1C
InChIInChI=1S/C18H21N7O2/c1-12-8-13(25-11-19-10-20-25)5-6-14(12)18(26)21-15-4-3-7-24-17(15)22-16(23-24)9-27-2/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3,(H,21,26)
InChIKeyZHFBVXWVSOBPPR-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.58
Rot. Bonds5

About N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 126789083) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID126789083
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCOCc1nc2n(n1)CCCC2NC(=O)c1ccc(-n2cncn2)cc1C
InChIInChI=1S/C18H21N7O2/c1-12-8-13(25-11-19-10-20-25)5-6-14(12)18(26)21-15-4-3-7-24-17(15)22-16(23-24)9-27-2/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3,(H,21,26)
InChIKeyZHFBVXWVSOBPPR-UHFFFAOYSA-N
XLogP1.58
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide with MolForge

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Related Compounds

3-ethoxy-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-pyrazole-5-carboxamide
CID 138034752
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 119625497
[3-(methylaminomethyl)piperidin-1-yl]-[2-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119399013
1-(2,3-dihydro-1H-inden-5-yl)-3-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97063175
N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 97100545
(2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide
CID 97226202
2-[1-[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]acetic acid
CID 119178892
(8S)-N-(2-adamantyl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97233340
(8S)-N-[(3-chloro-4-methylphenyl)methyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 124628702
[3-(methylaminomethyl)pyrrolidin-1-yl]-[2-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 119542475
(3R)-1-[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 124576815
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyridine-3-carbonitrile
CID 71918720

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 126789083) is N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide is COCc1nc2n(n1)CCCC2NC(=O)c1ccc(-n2cncn2)cc1C.
What is the InChIKey of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is ZHFBVXWVSOBPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-12-8-13(25-11-19-10-20-25)5-6-14(12)18(26)21-15-4-3-7-24-17(15)22-16(23-24)9-27-2/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3,(H,21,26).
What are the key properties of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 367.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 126789083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).