N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine

C10H20N4 — CID 114687188

IUPACN-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cnnn1CCC
InChIInChI=1S/C10H20N4/c1-4-6-11-9(3)10-8-12-13-14(10)7-5-2/h8-9,11H,4-7H2,1-3H3
InChIKeyCDUJQPYSKFJESU-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.75
Rot. Bonds6

About N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine

N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine (PubChem CID 114687188) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
PubChem CID114687188
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cnnn1CCC
InChIInChI=1S/C10H20N4/c1-4-6-11-9(3)10-8-12-13-14(10)7-5-2/h8-9,11H,4-7H2,1-3H3
InChIKeyCDUJQPYSKFJESU-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-propyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038563
N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114688709
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 105038466
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
5-(4-chloropentan-2-yl)-1-propyltriazole
CID 114690638
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687718
N-[(2-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114686864
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105182286

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine (CID 114687188) is N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine is CCCNC(C)c1cnnn1CCC.
What is the InChIKey of N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
The InChIKey is CDUJQPYSKFJESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-6-11-9(3)10-8-12-13-14(10)7-5-2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine?
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114687188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).