N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine

C9H15ClN4 — CID 130487095

IUPACN-(3-chlorocyclobutyl)-3-propyltriazol-4-amine
SMILESCCCn1nncc1NC1CC(Cl)C1
InChIInChI=1S/C9H15ClN4/c1-2-3-14-9(6-11-13-14)12-8-4-7(10)5-8/h6-8,12H,2-5H2,1H3
InChIKeyBUFHDWSAEABIQI-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.87
Rot. Bonds4

About N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine

N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine (PubChem CID 130487095) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine.

Molecular Properties

Compound NameN-(3-chlorocyclobutyl)-3-propyltriazol-4-amine
PubChem CID130487095
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC NameN-(3-chlorocyclobutyl)-3-propyltriazol-4-amine
SMILESCCCn1nncc1NC1CC(Cl)C1
InChIInChI=1S/C9H15ClN4/c1-2-3-14-9(6-11-13-14)12-8-4-7(10)5-8/h6-8,12H,2-5H2,1H3
InChIKeyBUFHDWSAEABIQI-UHFFFAOYSA-N
XLogP1.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.87
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

3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine
CID 130486514
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine
CID 114223433
3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine
CID 130486233
N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide
CID 114222846
N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114222797
N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine
CID 114222854
5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole
CID 114690653
N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine
CID 114222762
N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine
CID 114222859
ethane;5-methyl-1-propyltriazole
CID 164526823
N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide
CID 114222897

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine?
The IUPAC name of N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine (CID 130487095) is N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine.
What is the SMILES notation for N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine?
The canonical SMILES for N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine is CCCn1nncc1NC1CC(Cl)C1.
What is the InChIKey of N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine?
The InChIKey is BUFHDWSAEABIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-2-3-14-9(6-11-13-14)12-8-4-7(10)5-8/h6-8,12H,2-5H2,1H3.
What are the key properties of N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine?
N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine has a molecular weight of 214.70 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine is sourced from PubChem (CID 130487095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).