[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone

C17H23N5O2 — CID 118739256

IUPAC[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOCC1c2nnn(CC3CC3)c2CCN1C(=O)c1cccn1C
InChIInChI=1S/C17H23N5O2/c1-20-8-3-4-14(20)17(23)21-9-7-13-16(15(21)11-24-2)18-19-22(13)10-12-5-6-12/h3-4,8,12,15H,5-7,9-11H2,1-2H3
InChIKeyCZSIGYJHTANGHO-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.41
Rot. Bonds5

About [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone

[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 118739256) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID118739256
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOCC1c2nnn(CC3CC3)c2CCN1C(=O)c1cccn1C
InChIInChI=1S/C17H23N5O2/c1-20-8-3-4-14(20)17(23)21-9-7-13-16(15(21)11-24-2)18-19-22(13)10-12-5-6-12/h3-4,8,12,15H,5-7,9-11H2,1-2H3
InChIKeyCZSIGYJHTANGHO-UHFFFAOYSA-N
XLogP1.41
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-({1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 45205533
[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 118739633
1-[4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 118740724
[1-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
CID 118743951
[1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 118744303
[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
CID 118744373
N-{[2-(2-Methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL]methyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 91920374
4-{1-[1-(1-Methyl-1H-pyrrole-2-carbonyl)azetidin-3-YL]-1H-1,2,3-triazole-4-carbonyl}morpholine
CID 124047967
[7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118744372
[1-(2,2-Difluoroethyl)pyrazol-3-yl]-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 126814610
1-[4-(cyclopropylmethoxymethyl)-1-ethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 131683660
1-[4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 131683763

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone (CID 118739256) is [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone is COCC1c2nnn(CC3CC3)c2CCN1C(=O)c1cccn1C.
What is the InChIKey of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is CZSIGYJHTANGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-20-8-3-4-14(20)17(23)21-9-7-13-16(15(21)11-24-2)18-19-22(13)10-12-5-6-12/h3-4,8,12,15H,5-7,9-11H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone?
[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 118739256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).