3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine

C10H20N4 — CID 146611459

IUPAC3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCCc1cn(CCCNC(C)C)nn1
InChIInChI=1S/C10H20N4/c1-4-10-8-14(13-12-10)7-5-6-11-9(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyTWSUXTTVLUMILH-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.23
Rot. Bonds6

About 3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine

3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 146611459) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine
PubChem CID146611459
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCCc1cn(CCCNC(C)C)nn1
InChIInChI=1S/C10H20N4/c1-4-10-8-14(13-12-10)7-5-6-11-9(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyTWSUXTTVLUMILH-UHFFFAOYSA-N
XLogP1.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2,2-dimethylpropyl)triazol-1-yl]-N-propan-2-ylpropan-1-amine
CID 166933487
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
2-methyl-7-[4-[2-(propan-2-ylamino)ethyl]triazol-1-yl]heptan-3-one
CID 158277877
CID 169190126
CID 169190126
N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66192005
4-ethyl-1-(2-methylpropyl)triazole
CID 89281755
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-N'-hexan-3-ylpropane-1,3-diamine
CID 145051848
bis(1,4-diethyltriazole);ethane
CID 160569546
N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine
CID 106734742
ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide
CID 153389003
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine (CID 146611459) is 3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine is CCc1cn(CCCNC(C)C)nn1.
What is the InChIKey of 3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is TWSUXTTVLUMILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-10-8-14(13-12-10)7-5-6-11-9(2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine?
3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 146611459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).