[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone

C16H21N5O2 — CID 131684635

IUPAC[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone
SMILESCn1nnc2c1C(COCC1CC1)CN(C(=O)c1cc[nH]c1)C2
InChIInChI=1S/C16H21N5O2/c1-20-15-13(10-23-9-11-2-3-11)7-21(8-14(15)18-19-20)16(22)12-4-5-17-6-12/h4-6,11,13,17H,2-3,7-10H2,1H3
InChIKeyXSKGWOZJYDENKK-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.31
Rot. Bonds5

About [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone

[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 131684635) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID131684635
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone
SMILESCn1nnc2c1C(COCC1CC1)CN(C(=O)c1cc[nH]c1)C2
InChIInChI=1S/C16H21N5O2/c1-20-15-13(10-23-9-11-2-3-11)7-21(8-14(15)18-19-20)16(22)12-4-5-17-6-12/h4-6,11,13,17H,2-3,7-10H2,1H3
InChIKeyXSKGWOZJYDENKK-UHFFFAOYSA-N
XLogP1.31
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 131649972
[(7S)-7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97368908
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97368383
[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
CID 97383270
(7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide
CID 97368943
[(7R)-7-[2-(dimethylamino)ethoxymethyl]-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97368921
1-[1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 131644405
furan-2-yl-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 97383259
(7S)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 97382899
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368938
1-methyl-6-[1-methyl-7-(2-pyrrolidin-1-ylethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
CID 131681885
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383358

Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone (CID 131684635) is [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone is Cn1nnc2c1C(COCC1CC1)CN(C(=O)c1cc[nH]c1)C2.
What is the InChIKey of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is XSKGWOZJYDENKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20-15-13(10-23-9-11-2-3-11)7-21(8-14(15)18-19-20)16(22)12-4-5-17-6-12/h4-6,11,13,17H,2-3,7-10H2,1H3.
What are the key properties of [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone?
[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 131684635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).