N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide

C10H18N4O2 — CID 47338201

IUPACN-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide
SMILESCC(C)COCCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C10H18N4O2/c1-8(2)7-16-5-3-4-11-10(15)9-6-12-14-13-9/h6,8H,3-5,7H2,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyPWMIJBWZBGVSJL-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.60
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide

N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide (PubChem CID 47338201) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide
PubChem CID47338201
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide
SMILESCC(C)COCCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C10H18N4O2/c1-8(2)7-16-5-3-4-11-10(15)9-6-12-14-13-9/h6,8H,3-5,7H2,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyPWMIJBWZBGVSJL-UHFFFAOYSA-N
XLogP0.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844
N-propyl-2H-triazole-4-carboxamide
CID 54219715
N-(3-formamidopropyl)-2H-triazole-4-carboxamide
CID 110475421
methyl 6-(2H-triazole-4-carbonylamino)hexanoate
CID 47336093
N-(4-chlorobutyl)-2H-triazole-4-carboxamide
CID 106845435
N-(2-methoxypropyl)-2H-triazole-4-carboxamide
CID 102700159
5-amino-1-methyl-N-[3-(2-methylpropoxy)propyl]pyrazole-4-carboxamide
CID 113355603
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 86916114
N-[3-(2-methylpropoxy)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136878757
N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47213767
N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide
CID 55251521

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide (CID 47338201) is N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide is CC(C)COCCCNC(=O)c1cn[nH]n1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide?
The InChIKey is PWMIJBWZBGVSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(2)7-16-5-3-4-11-10(15)9-6-12-14-13-9/h6,8H,3-5,7H2,1-2H3,(H,11,15)(H,12,13,14).
What are the key properties of N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide?
N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 47338201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).