(4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C19H26N4O2 — CID 97368867

IUPAC(4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESc1cc(CN2CCc3c(nnn3CC3CC3)[C@H]2COCC2CC2)co1
InChIInChI=1S/C19H26N4O2/c1-2-14(1)10-23-17-5-7-22(9-16-6-8-24-12-16)18(19(17)20-21-23)13-25-11-15-3-4-15/h6,8,12,14-15,18H,1-5,7,9-11,13H2/t18-/m1/s1
InChIKeyZRTSJTIPPGVNTO-GOSISDBHSA-N
MW342.44 g/mol
LogP2.81
Rot. Bonds8

About (4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

(4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 97368867) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID97368867
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESc1cc(CN2CCc3c(nnn3CC3CC3)[C@H]2COCC2CC2)co1
InChIInChI=1S/C19H26N4O2/c1-2-14(1)10-23-17-5-7-22(9-16-6-8-24-12-16)18(19(17)20-21-23)13-25-11-15-3-4-15/h6,8,12,14-15,18H,1-5,7,9-11,13H2/t18-/m1/s1
InChIKeyZRTSJTIPPGVNTO-GOSISDBHSA-N
XLogP2.81
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-prop-2-enyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368880
4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746859
(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368805
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383191
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383189
5-cyclobutyl-1-(cyclopropylmethyl)-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131659933
(4S)-5-cyclobutyl-1-(cyclopropylmethyl)-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368898
3-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
CID 131660751
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383196
2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 131658939
1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131659963
[(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97415439

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of (4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 97368867) is (4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for (4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for (4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is c1cc(CN2CCc3c(nnn3CC3CC3)[C@H]2COCC2CC2)co1.
What is the InChIKey of (4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is ZRTSJTIPPGVNTO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-14(1)10-23-17-5-7-22(9-16-6-8-24-12-16)18(19(17)20-21-23)13-25-11-15-3-4-15/h6,8,12,14-15,18H,1-5,7,9-11,13H2/t18-/m1/s1.
What are the key properties of (4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
(4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 342.44 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 97368867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).