N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine

C7H15N5 — CID 70457819

IUPACN'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCn1cc(CCNCCN)nn1
InChIInChI=1S/C7H15N5/c1-12-6-7(10-11-12)2-4-9-5-3-8/h6,9H,2-5,8H2,1H3
InChIKeyITJFNKXAGMEOQK-UHFFFAOYSA-N
MW169.23 g/mol
LogP-1.09
Rot. Bonds5

About N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine

N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine (PubChem CID 70457819) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine
PubChem CID70457819
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC NameN'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCn1cc(CCNCCN)nn1
InChIInChI=1S/C7H15N5/c1-12-6-7(10-11-12)2-4-9-5-3-8/h6,9H,2-5,8H2,1H3
InChIKeyITJFNKXAGMEOQK-UHFFFAOYSA-N
XLogP-1.09
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052835
4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 107054853
4-(3-bromopropyl)-1-methyltriazole
CID 107053634
2-(1-methylpyrazol-3-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 104626854
N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054859
ethane;1-methyl-4-propyltriazole
CID 168923376
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107059032
2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054917
4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
CID 158259702
4-(1-methyltriazol-4-yl)butan-2-amine
CID 107044565
N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine
CID 107054857
2-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698521

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine (CID 70457819) is N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine is Cn1cc(CCNCCN)nn1.
What is the InChIKey of N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine?
The InChIKey is ITJFNKXAGMEOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-12-6-7(10-11-12)2-4-9-5-3-8/h6,9H,2-5,8H2,1H3.
What are the key properties of N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine?
N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine has a molecular weight of 169.23 g/mol, XLogP of -1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 70457819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).