N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine

C9H19N5 — CID 63332293

IUPACN',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCc1nncn1C
InChIInChI=1S/C9H19N5/c1-13(2)7-6-10-5-4-9-12-11-8-14(9)3/h8,10H,4-7H2,1-3H3
InChIKeyJLIMVBNMVBOESX-UHFFFAOYSA-N
MW197.29 g/mol
LogP-0.49
Rot. Bonds6

About N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine (PubChem CID 63332293) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
PubChem CID63332293
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCc1nncn1C
InChIInChI=1S/C9H19N5/c1-13(2)7-6-10-5-4-9-12-11-8-14(9)3/h8,10H,4-7H2,1-3H3
InChIKeyJLIMVBNMVBOESX-UHFFFAOYSA-N
XLogP-0.49
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine (CID 63332293) is N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine is CN(C)CCNCCc1nncn1C.
What is the InChIKey of N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine?
The InChIKey is JLIMVBNMVBOESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-13(2)7-6-10-5-4-9-12-11-8-14(9)3/h8,10H,4-7H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine has a molecular weight of 197.29 g/mol, XLogP of -0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 63332293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).