N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide

C19H24N4O — CID 124743149

IUPACN-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H24N4O/c24-19(15-6-9-18(10-7-15)23-13-20-12-21-23)22-17-8-5-14-3-1-2-4-16(14)11-17/h6-7,9-10,12-14,16-17H,1-5,8,11H2,(H,22,24)/t14-,16-,17+/m0/s1
InChIKeyYPXPEICKLFUDGD-BHYGNILZSA-N
MW324.43 g/mol
LogP3.36
Rot. Bonds3

About N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide

N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 124743149) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID124743149
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H24N4O/c24-19(15-6-9-18(10-7-15)23-13-20-12-21-23)22-17-8-5-14-3-1-2-4-16(14)11-17/h6-7,9-10,12-14,16-17H,1-5,8,11H2,(H,22,24)/t14-,16-,17+/m0/s1
InChIKeyYPXPEICKLFUDGD-BHYGNILZSA-N
XLogP3.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide (CID 124743149) is N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is YPXPEICKLFUDGD-BHYGNILZSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(15-6-9-18(10-7-15)23-13-20-12-21-23)22-17-8-5-14-3-1-2-4-16(14)11-17/h6-7,9-10,12-14,16-17H,1-5,8,11H2,(H,22,24)/t14-,16-,17+/m0/s1.
What are the key properties of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 324.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 124743149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).