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

C16H20N4O3 — CID 97415439

IUPAC[(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
SMILESCn1nnc2c1CCN(C(=O)c1ccoc1)[C@H]2COCC1CC1
InChIInChI=1S/C16H20N4O3/c1-19-13-4-6-20(16(21)12-5-7-22-9-12)14(15(13)17-18-19)10-23-8-11-2-3-11/h5,7,9,11,14H,2-4,6,8,10H2,1H3/t14-/m0/s1
InChIKeyQIYTWVPZNBTPPL-AWEZNQCLSA-N
MW316.36 g/mol
LogP1.57
Rot. Bonds5

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

[(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone (PubChem CID 97415439) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
PubChem CID97415439
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
SMILESCn1nnc2c1CCN(C(=O)c1ccoc1)[C@H]2COCC1CC1
InChIInChI=1S/C16H20N4O3/c1-19-13-4-6-20(16(21)12-5-7-22-9-12)14(15(13)17-18-19)10-23-8-11-2-3-11/h5,7,9,11,14H,2-4,6,8,10H2,1H3/t14-/m0/s1
InChIKeyQIYTWVPZNBTPPL-AWEZNQCLSA-N
XLogP1.57
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone
CID 97368726
[(7R)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-phenylmethanone
CID 97467932
[1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
CID 134072182
[(3S)-3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97475215
cyclopent-3-en-1-yl-[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 131652046
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97368383
(4S)-4-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368867
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 124811735
1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one
CID 97368730
[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118739257
2-cyclopropyl-1-[(4R)-1-ethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanone
CID 97468613
furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738155

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The IUPAC name of [(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone (CID 97415439) is [(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone is Cn1nnc2c1CCN(C(=O)c1ccoc1)[C@H]2COCC1CC1.
What is the InChIKey of [(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
The InChIKey is QIYTWVPZNBTPPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-19-13-4-6-20(16(21)12-5-7-22-9-12)14(15(13)17-18-19)10-23-8-11-2-3-11/h5,7,9,11,14H,2-4,6,8,10H2,1H3/t14-/m0/s1.
What are the key properties of [(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone?
[(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97415439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).