ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine

C10H23N5 — CID 155741144

IUPACethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine
SMILESCC.CCn1cc(CCCNCN)nn1
InChIInChI=1S/C8H17N5.C2H6/c1-2-13-6-8(11-12-13)4-3-5-10-7-9;1-2/h6,10H,2-5,7,9H2,1H3;1-2H3
InChIKeyIPQAUSLMLRWBCO-UHFFFAOYSA-N
MW213.33 g/mol
LogP0.76
Rot. Bonds6

About ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine

ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine (PubChem CID 155741144) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine.

Molecular Properties

Compound Nameethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine
PubChem CID155741144
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Nameethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine
SMILESCC.CCn1cc(CCCNCN)nn1
InChIInChI=1S/C8H17N5.C2H6/c1-2-13-6-8(11-12-13)4-3-5-10-7-9;1-2/h6,10H,2-5,7,9H2,1H3;1-2H3
InChIKeyIPQAUSLMLRWBCO-UHFFFAOYSA-N
XLogP0.76
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(1,4-diethyltriazole);ethane
CID 160569546
4-(bromomethyl)-1-ethyltriazole
CID 62400485
3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052835
ethyl 5-(1-ethyltriazol-4-yl)pentanoate
CID 137386738
N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine
CID 155740464
3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160006
N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine
CID 159191792
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine
CID 155740981
1-ethyl-4-(sulfanyloxymethyl)triazole
CID 177230256
1-ethyl-4-(2-propoxyethyl)triazole
CID 162703060
N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
CID 163400080

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine?
The IUPAC name of ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine (CID 155741144) is ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine.
What is the SMILES notation for ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine?
The canonical SMILES for ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine is CC.CCn1cc(CCCNCN)nn1.
What is the InChIKey of ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine?
The InChIKey is IPQAUSLMLRWBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5.C2H6/c1-2-13-6-8(11-12-13)4-3-5-10-7-9;1-2/h6,10H,2-5,7,9H2,1H3;1-2H3.
What are the key properties of ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine?
ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine has a molecular weight of 213.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[3-(1-ethyltriazol-4-yl)propyl]methanediamine is sourced from PubChem (CID 155741144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).