2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide

C11H18N4O — CID 119073158

IUPAC2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCCCn1ccnn1
InChIInChI=1S/C11H18N4O/c1-11(2)8-9(11)10(16)12-4-3-6-15-7-5-13-14-15/h5,7,9H,3-4,6,8H2,1-2H3,(H,12,16)
InChIKeyIJCDOHFCNSHCNL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.83
Rot. Bonds5

About 2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide

2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 119073158) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID119073158
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCCCn1ccnn1
InChIInChI=1S/C11H18N4O/c1-11(2)8-9(11)10(16)12-4-3-6-15-7-5-13-14-15/h5,7,9H,3-4,6,8H2,1-2H3,(H,12,16)
InChIKeyIJCDOHFCNSHCNL-UHFFFAOYSA-N
XLogP0.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 91797106
(1S)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 124616491
(2,2,3,3-Tetramethylcyclopropyl)-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 132283879
2-methyl-N-[3-(triazol-1-yl)propyl]propanamide
CID 68197496
2-methyl-3-(triazol-1-yl)-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 121448624
(2S,4R)-1-[(2S)-3,3-dimethyl-2-(triazol-1-yl)butanoyl]-N,4-dimethylpyrrolidine-2-carboxamide
CID 163303070
N-methyl-6-(triazol-1-yl)hexanamide
CID 164816515
2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide
CID 176871295
2-methyl-N-[(2R)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide
CID 176871302
N-(2-piperidin-3-ylethyl)-3-(triazol-1-yl)propanamide
CID 55248610
1-[3-(Methylaminomethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 61203948
1-[3-(Aminomethyl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 61788689

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide (CID 119073158) is 2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide is CC1(C)CC1C(=O)NCCCn1ccnn1.
What is the InChIKey of 2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is IJCDOHFCNSHCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2)8-9(11)10(16)12-4-3-6-15-7-5-13-14-15/h5,7,9H,3-4,6,8H2,1-2H3,(H,12,16).
What are the key properties of 2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide?
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119073158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).