N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine

C16H23N5 — CID 103726688

IUPACN'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCN(CCNCc1n[nH]nc1-c1ccccc1)C1CC1
InChIInChI=1S/C16H23N5/c1-2-21(14-8-9-14)11-10-17-12-15-16(19-20-18-15)13-6-4-3-5-7-13/h3-7,14,17H,2,8-12H2,1H3,(H,18,19,20)
InChIKeyWVILJTOLJCFHMC-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.05
Rot. Bonds8

About N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 103726688) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID103726688
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCN(CCNCc1n[nH]nc1-c1ccccc1)C1CC1
InChIInChI=1S/C16H23N5/c1-2-21(14-8-9-14)11-10-17-12-15-16(19-20-18-15)13-6-4-3-5-7-13/h3-7,14,17H,2,8-12H2,1H3,(H,18,19,20)
InChIKeyWVILJTOLJCFHMC-UHFFFAOYSA-N
XLogP2.05
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.05
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',N'-diethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]propane-1,3-diamine
CID 63643476
N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine
CID 113257663
6-[(5-phenyl-2H-triazol-4-yl)methylamino]hexan-1-ol
CID 107848714
2-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]cyclopentan-1-amine
CID 63643322
N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103637912
4-phenyl-5-propyl-2H-triazole
CID 66772707
N-[[5-(4-methylphenyl)-2H-triazol-4-yl]methyl]propan-1-amine
CID 69441226
1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 63641898
4-ethyl-5-phenyl-2H-triazole
CID 15501643
N'-cyclopropyl-N'-ethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 103637921
N'-cyclopropyl-N'-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641500
N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine
CID 63643657

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine (CID 103726688) is N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine is CCN(CCNCc1n[nH]nc1-c1ccccc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is WVILJTOLJCFHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-21(14-8-9-14)11-10-17-12-15-16(19-20-18-15)13-6-4-3-5-7-13/h3-7,14,17H,2,8-12H2,1H3,(H,18,19,20).
What are the key properties of N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 103726688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).