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

C17H23N5O — CID 118746858

IUPAC4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1CCN(Cc1ccncc1)C2COCC1CC1
InChIInChI=1S/C17H23N5O/c1-21-15-6-9-22(10-13-4-7-18-8-5-13)16(17(15)19-20-21)12-23-11-14-2-3-14/h4-5,7-8,14,16H,2-3,6,9-12H2,1H3
InChIKeyREUQNTDMWAMZMQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.74
Rot. Bonds6

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

4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 118746858) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID118746858
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCn1nnc2c1CCN(Cc1ccncc1)C2COCC1CC1
InChIInChI=1S/C17H23N5O/c1-21-15-6-9-22(10-13-4-7-18-8-5-13)16(17(15)19-20-21)12-23-11-14-2-3-14/h4-5,7-8,14,16H,2-3,6,9-12H2,1H3
InChIKeyREUQNTDMWAMZMQ-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

Analyze 4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine with MolForge

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Related Compounds

(3R,3aS,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
CID 97460505
(3R,3aS,7aR)-1-(cyclopropylmethyl)-N-methyl-N-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
CID 97460511
7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739518
7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739628
4-(methoxymethyl)-2-methyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 118741136
4-(methoxymethyl)-2-methyl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 118741139
7-(cyclopropylmethoxymethyl)-2-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 118741161
5-benzyl-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118741178
2-ethyl-7-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 118741207
7-(cyclopropylmethoxymethyl)-1-ethyl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118745708
1-methyl-4-(phenylmethoxymethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118745775
1-(cyclopropylmethyl)-7-(methoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118746098

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 118746858) is 4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is Cn1nnc2c1CCN(Cc1ccncc1)C2COCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is REUQNTDMWAMZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-15-6-9-22(10-13-4-7-18-8-5-13)16(17(15)19-20-21)12-23-11-14-2-3-14/h4-5,7-8,14,16H,2-3,6,9-12H2,1H3.
What are the key properties of 4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-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 4-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 118746858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).