N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide

C18H18N4O — CID 166218563

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc3c4c(cccc24)CC3)n[nH]1
InChIInChI=1S/C18H18N4O/c1-11-19-16(21-20-11)10-22(2)18(23)15-9-8-13-7-6-12-4-3-5-14(15)17(12)13/h3-5,8-9H,6-7,10H2,1-2H3,(H,19,20,21)
InChIKeyKYZFZMMNJWRWOH-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.64
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 166218563) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID166218563
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc3c4c(cccc24)CC3)n[nH]1
InChIInChI=1S/C18H18N4O/c1-11-19-16(21-20-11)10-22(2)18(23)15-9-8-13-7-6-12-4-3-5-14(15)17(12)13/h3-5,8-9H,6-7,10H2,1-2H3,(H,19,20,21)
InChIKeyKYZFZMMNJWRWOH-UHFFFAOYSA-N
XLogP2.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-3-carboxamide
CID 64512779
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]benzoic acid
CID 64512373
2-chloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511177
3-chloro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107097940
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 64510640
2-amino-3-fluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64518342
N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 64510814
3-fluoro-N-methyl-2-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64519493
N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
CID 64510991
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-6-carboxamide
CID 64510794
3-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511572
4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511418

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide (CID 166218563) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide is Cc1nc(CN(C)C(=O)c2ccc3c4c(cccc24)CC3)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is KYZFZMMNJWRWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11-19-16(21-20-11)10-22(2)18(23)15-9-8-13-7-6-12-4-3-5-14(15)17(12)13/h3-5,8-9H,6-7,10H2,1-2H3,(H,19,20,21).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 166218563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).