N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide

C14H24N4O2 — CID 154565061

IUPACN-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)N[C@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C14H24N4O2/c19-13-7-4-2-1-3-6-12(13)17-14(20)8-5-9-18-11-15-10-16-18/h10-13,19H,1-9H2,(H,17,20)/t12-,13-/m0/s1
InChIKeyGZJTZSCSIOAGAU-STQMWFEESA-N
MW280.37 g/mol
LogP1.26
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 154565061) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID154565061
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)N[C@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C14H24N4O2/c19-13-7-4-2-1-3-6-12(13)17-14(20)8-5-9-18-11-15-10-16-18/h10-13,19H,1-9H2,(H,17,20)/t12-,13-/m0/s1
InChIKeyGZJTZSCSIOAGAU-STQMWFEESA-N
XLogP1.26
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110127909
N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042127
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95276466
N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 155937779
N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110128134
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 100839204
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91770644
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 154565061) is N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)N[C@H]1CCCCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is GZJTZSCSIOAGAU-STQMWFEESA-N. The full InChI is InChI=1S/C14H24N4O2/c19-13-7-4-2-1-3-6-12(13)17-14(20)8-5-9-18-11-15-10-16-18/h10-13,19H,1-9H2,(H,17,20)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 154565061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).