N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide

C20H26N6O — CID 118792092

IUPACN-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C20H26N6O/c27-18(6-7-26-15-21-14-22-26)23-19-16-10-24-8-9-25(11-16)13-20(19,12-24)17-4-2-1-3-5-17/h1-5,14-16,19H,6-13H2,(H,23,27)
InChIKeyDWSRPKFOCSMFJZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP0.35
Rot. Bonds5

About N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 118792092) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID118792092
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C20H26N6O/c27-18(6-7-26-15-21-14-22-26)23-19-16-10-24-8-9-25(11-16)13-20(19,12-24)17-4-2-1-3-5-17/h1-5,14-16,19H,6-13H2,(H,23,27)
InChIKeyDWSRPKFOCSMFJZ-UHFFFAOYSA-N
XLogP0.35
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylimidazol-1-yl)-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide
CID 131936378
N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-4-ylacetamide
CID 131946986
N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-2-pyridin-3-ylacetamide
CID 131895417
2-[4-(hydroxymethyl)phenyl]-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
CID 131923030
3-(2-oxo-3H-benzimidazol-1-yl)-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)propanamide
CID 131921636
2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
CID 131946938
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
N-[2-[[(9S)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]carbamoylamino]ethyl]acetamide
CID 126433835
1-(2-ethylpyrazol-3-yl)-3-[(9S)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]urea
CID 97434335
4-[[(9R)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl]amino]pyrimidine-5-carboxylic acid
CID 98842200
1-(difluoromethyl)-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)pyrazole-3-carboxamide
CID 131892112
N-[(1R,5R,6R,7R)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 126417156

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 118792092) is N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NC1C2CN3CCN(C2)CC1(c1ccccc1)C3.
What is the InChIKey of N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DWSRPKFOCSMFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-18(6-7-26-15-21-14-22-26)23-19-16-10-24-8-9-25(11-16)13-20(19,12-24)17-4-2-1-3-5-17/h1-5,14-16,19H,6-13H2,(H,23,27).
What are the key properties of N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 118792092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).