1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine

C13H19N5 — CID 114223486

IUPAC1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
SMILESCCCn1nncc1NC(CN)c1ccccc1
InChIInChI=1S/C13H19N5/c1-2-8-18-13(10-15-17-18)16-12(9-14)11-6-4-3-5-7-11/h3-7,10,12,16H,2,8-9,14H2,1H3
InChIKeyOEJLLWAMGRYLRN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.80
Rot. Bonds6

About 1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine

1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine (PubChem CID 114223486) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
PubChem CID114223486
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
SMILESCCCn1nncc1NC(CN)c1ccccc1
InChIInChI=1S/C13H19N5/c1-2-8-18-13(10-15-17-18)16-12(9-14)11-6-4-3-5-7-11/h3-7,10,12,16H,2,8-9,14H2,1H3
InChIKeyOEJLLWAMGRYLRN-UHFFFAOYSA-N
XLogP1.80
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol
CID 114222733
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
[2-methoxy-2-phenyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
CID 105279057
N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine
CID 114222762
2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
CID 114691818
N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687384
1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690545
[2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethyl]hydrazine
CID 105237633
N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 63761958
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine (CID 114223486) is 1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine is CCCn1nncc1NC(CN)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine?
The InChIKey is OEJLLWAMGRYLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-8-18-13(10-15-17-18)16-12(9-14)11-6-4-3-5-7-11/h3-7,10,12,16H,2,8-9,14H2,1H3.
What are the key properties of 1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine?
1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 114223486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).