(1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

C15H18N6O — CID 99974341

IUPAC(1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESC[C@H](O)c1cc2n(n1)CCCN(c1nnc3ccccn13)C2
InChIInChI=1S/C15H18N6O/c1-11(22)13-9-12-10-19(6-4-8-21(12)18-13)15-17-16-14-5-2-3-7-20(14)15/h2-3,5,7,9,11,22H,4,6,8,10H2,1H3/t11-/m0/s1
InChIKeyJTFBODNQEHTBEX-NSHDSACASA-N
MW298.35 g/mol
LogP1.39
Rot. Bonds2

About (1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

(1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (PubChem CID 99974341) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is (1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
PubChem CID99974341
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name(1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESC[C@H](O)c1cc2n(n1)CCCN(c1nnc3ccccn13)C2
InChIInChI=1S/C15H18N6O/c1-11(22)13-9-12-10-19(6-4-8-21(12)18-13)15-17-16-14-5-2-3-7-20(14)15/h2-3,5,7,9,11,22H,4,6,8,10H2,1H3/t11-/m0/s1
InChIKeyJTFBODNQEHTBEX-NSHDSACASA-N
XLogP1.39
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol with MolForge

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Related Compounds

(1R)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99974340
(1S)-1-[5-[1-(2-hydroxyethyl)benzimidazol-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99974750
9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 99990684
(1,5-dimethylpyrazol-3-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 139598620
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol
CID 137337341
[(2S)-1-methylpyrrolidin-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 138808781
[(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol
CID 97153137
1-[5-(2,2-diphenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 90653195
(1-ethylpyrazol-3-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 53203469
3-cyclopentyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 53203453
2-(2-chloro-4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethanone
CID 53203462
2-pyrazol-1-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]butan-1-one
CID 138807835

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The IUPAC name of (1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (CID 99974341) is (1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is C[C@H](O)c1cc2n(n1)CCCN(c1nnc3ccccn13)C2.
What is the InChIKey of (1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The InChIKey is JTFBODNQEHTBEX-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N6O/c1-11(22)13-9-12-10-19(6-4-8-21(12)18-13)15-17-16-14-5-2-3-7-20(14)15/h2-3,5,7,9,11,22H,4,6,8,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
(1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol has a molecular weight of 298.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is sourced from PubChem (CID 99974341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).