N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine

C8H15ClN4 — CID 130878141

IUPACN-(2-chloropentan-3-yl)-3-methyltriazol-4-amine
SMILESCCC(Nc1cnnn1C)C(C)Cl
InChIInChI=1S/C8H15ClN4/c1-4-7(6(2)9)11-8-5-10-12-13(8)3/h5-7,11H,4H2,1-3H3
InChIKeyKIUAEHBBUNRWJI-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.63
Rot. Bonds4

About N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine

N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine (PubChem CID 130878141) has the molecular formula C8H15ClN4 and a molecular weight of 202.69 g/mol. Its IUPAC name is N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine.

Molecular Properties

Compound NameN-(2-chloropentan-3-yl)-3-methyltriazol-4-amine
PubChem CID130878141
Molecular FormulaC8H15ClN4
Molecular Weight202.69 g/mol
Exact Mass202.10
IUPAC NameN-(2-chloropentan-3-yl)-3-methyltriazol-4-amine
SMILESCCC(Nc1cnnn1C)C(C)Cl
InChIInChI=1S/C8H15ClN4/c1-4-7(6(2)9)11-8-5-10-12-13(8)3/h5-7,11H,4H2,1-3H3
InChIKeyKIUAEHBBUNRWJI-UHFFFAOYSA-N
XLogP1.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyltriazol-4-amine
CID 130486129
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
(3-methyltriazol-4-yl)hydrazine;dihydrochloride
CID 119056891
3-(2-chloropentan-3-ylamino)-1-methylpyrazin-2-one
CID 130892545
1-ethyl-3-(3-methyltriazol-4-yl)urea
CID 130771141
2-methoxy-N-(3-methyltriazol-4-yl)propanamide
CID 131176185
2-methyl-2-[(3-methyltriazol-4-yl)amino]propane-1,3-diol
CID 130486345
N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine
CID 114222762
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705
1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine
CID 115923316
2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine
CID 130486243
(3-methyltriazol-4-yl)urea
CID 90101859

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine?
The IUPAC name of N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine (CID 130878141) is N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine.
What is the SMILES notation for N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine?
The canonical SMILES for N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine is CCC(Nc1cnnn1C)C(C)Cl.
What is the InChIKey of N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine?
The InChIKey is KIUAEHBBUNRWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN4/c1-4-7(6(2)9)11-8-5-10-12-13(8)3/h5-7,11H,4H2,1-3H3.
What are the key properties of N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine?
N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine has a molecular weight of 202.69 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropentan-3-yl)-3-methyltriazol-4-amine is sourced from PubChem (CID 130878141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).