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

C10H21N5 — CID 62116960

IUPACN',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1nncn1C
InChIInChI=1S/C10H21N5/c1-4-15(5-2)7-6-11-8-10-13-12-9-14(10)3/h9,11H,4-8H2,1-3H3
InChIKeyCUTMYWDBIMYKDD-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.25
Rot. Bonds7

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

N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 62116960) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID62116960
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC NameN',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1nncn1C
InChIInChI=1S/C10H21N5/c1-4-15(5-2)7-6-11-8-10-13-12-9-14(10)3/h9,11H,4-8H2,1-3H3
InChIKeyCUTMYWDBIMYKDD-UHFFFAOYSA-N
XLogP0.25
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.25
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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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 62118264
N-[2-(diethylamino)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74245822
N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 63332293
7-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]octan-1-amine
CID 114004095
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]but-2-yn-1-amine
CID 62310554
2-methylidene-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 66044024
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 62118462
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
3-imidazol-1-yl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62119548
2,2-dimethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 63697959
1-(1-ethylpyrrol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66415171

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine (CID 62116960) is N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine is CCN(CC)CCNCc1nncn1C.
What is the InChIKey of N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is CUTMYWDBIMYKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-4-15(5-2)7-6-11-8-10-13-12-9-14(10)3/h9,11H,4-8H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 211.31 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62116960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).