3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine

C10H20N4 — CID 62694930

IUPAC3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CCCNC(C)C)n(C)n1
InChIInChI=1S/C10H20N4/c1-8(2)11-7-5-6-10-12-9(3)13-14(10)4/h8,11H,5-7H2,1-4H3
InChIKeyKAECAWGXEJWFEK-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.05
Rot. Bonds5

About 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine

3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 62694930) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
PubChem CID62694930
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1nc(CCCNC(C)C)n(C)n1
InChIInChI=1S/C10H20N4/c1-8(2)11-7-5-6-10-12-9(3)13-14(10)4/h8,11H,5-7H2,1-4H3
InChIKeyKAECAWGXEJWFEK-UHFFFAOYSA-N
XLogP1.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.05
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-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 62720337
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine
CID 61387751
N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62694659
N,4-dimethyl-5-[3-(propan-2-ylamino)propyl]-1,2,4-triazol-3-amine
CID 112597231
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744572
3-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79225845
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291
1-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-methylmethanamine;hydrochloride
CID 169407975
3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine
CID 62041739
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837982
5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
CID 114532105
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62447908

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine (CID 62694930) is 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine is Cc1nc(CCCNC(C)C)n(C)n1.
What is the InChIKey of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is KAECAWGXEJWFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(2)11-7-5-6-10-12-9(3)13-14(10)4/h8,11H,5-7H2,1-4H3.
What are the key properties of 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine?
3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62694930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).