N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide

C13H22N4O — CID 31336018

IUPACN-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC1CCCCCCC1
InChIInChI=1S/C13H22N4O/c18-13(8-9-17-11-14-10-15-17)16-12-6-4-2-1-3-5-7-12/h10-12H,1-9H2,(H,16,18)
InChIKeyXGFRNSVDBKHGMC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.90
Rot. Bonds4

About N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide

N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 31336018) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID31336018
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC1CCCCCCC1
InChIInChI=1S/C13H22N4O/c18-13(8-9-17-11-14-10-15-17)16-12-6-4-2-1-3-5-7-12/h10-12H,1-9H2,(H,16,18)
InChIKeyXGFRNSVDBKHGMC-UHFFFAOYSA-N
XLogP1.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-tert-butylcyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95276466
N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 154565061
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-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 97084868
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62665464
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
CID 19561744
N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042127
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 126417156
N-cyclopentyl-3-(3-methylpyrazol-1-yl)propanamide
CID 19555712
N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine
CID 18349129
3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19544037

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide (CID 31336018) is N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XGFRNSVDBKHGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c18-13(8-9-17-11-14-10-15-17)16-12-6-4-2-1-3-5-7-12/h10-12H,1-9H2,(H,16,18).
What are the key properties of N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide?
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 31336018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).