5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C17H23N5O — CID 131642797

IUPAC5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1C(COCc1ccncc1)CN(CC1CC1)C2
InChIInChI=1S/C17H23N5O/c1-21-17-15(12-23-11-14-4-6-18-7-5-14)9-22(8-13-2-3-13)10-16(17)19-20-21/h4-7,13,15H,2-3,8-12H2,1H3
InChIKeyHBCDDMQTLRCRSG-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.74
Rot. Bonds6

About 5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 131642797) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID131642797
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1C(COCc1ccncc1)CN(CC1CC1)C2
InChIInChI=1S/C17H23N5O/c1-21-17-15(12-23-11-14-4-6-18-7-5-14)9-22(8-13-2-3-13)10-16(17)19-20-21/h4-7,13,15H,2-3,8-12H2,1H3
InChIKeyHBCDDMQTLRCRSG-UHFFFAOYSA-N
XLogP1.74
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131662945
5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 134072219
1-methyl-5-(oxan-4-ylmethyl)-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 134076766
(7S)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383391
1-methyl-5-(oxan-4-ylmethyl)-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 155824715
2-[[(7S)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
CID 97406240
N,N-dimethyl-2-[[(7S)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]acetamide
CID 97406238
N,N-dimethyl-2-[1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanamine
CID 134072220
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383358
(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368938
(7R)-5-(furan-3-ylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97406253
2-[[(7R)-1-methyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 97383373

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 131642797) is 5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is Cn1nnc2c1C(COCc1ccncc1)CN(CC1CC1)C2.
What is the InChIKey of 5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is HBCDDMQTLRCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-17-15(12-23-11-14-4-6-18-7-5-14)9-22(8-13-2-3-13)10-16(17)19-20-21/h4-7,13,15H,2-3,8-12H2,1H3.
What are the key properties of 5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 313.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-1-methyl-7-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 131642797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).