N-propan-2-yl-3-propyltriazol-4-amine

C8H16N4 — CID 130486605

IUPACN-propan-2-yl-3-propyltriazol-4-amine
SMILESCCCn1nncc1NC(C)C
InChIInChI=1S/C8H16N4/c1-4-5-12-8(6-9-11-12)10-7(2)3/h6-7,10H,4-5H2,1-3H3
InChIKeyKALOFFLGQWQLLW-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.51
Rot. Bonds4

About N-propan-2-yl-3-propyltriazol-4-amine

N-propan-2-yl-3-propyltriazol-4-amine (PubChem CID 130486605) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-propan-2-yl-3-propyltriazol-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-propyltriazol-4-amine
PubChem CID130486605
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-propan-2-yl-3-propyltriazol-4-amine
SMILESCCCn1nncc1NC(C)C
InChIInChI=1S/C8H16N4/c1-4-5-12-8(6-9-11-12)10-7(2)3/h6-7,10H,4-5H2,1-3H3
InChIKeyKALOFFLGQWQLLW-UHFFFAOYSA-N
XLogP1.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine
CID 114222762
1-phenyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114223486
ethane;5-methyl-1-propyltriazole
CID 164526823
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine
CID 130487095
2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687773
N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine
CID 114223433
1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol
CID 114222733
N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine
CID 105409562
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine
CID 114222902
N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide
CID 114222846

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-propyltriazol-4-amine?
The IUPAC name of N-propan-2-yl-3-propyltriazol-4-amine (CID 130486605) is N-propan-2-yl-3-propyltriazol-4-amine.
What is the SMILES notation for N-propan-2-yl-3-propyltriazol-4-amine?
The canonical SMILES for N-propan-2-yl-3-propyltriazol-4-amine is CCCn1nncc1NC(C)C.
What is the InChIKey of N-propan-2-yl-3-propyltriazol-4-amine?
The InChIKey is KALOFFLGQWQLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-5-12-8(6-9-11-12)10-7(2)3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-propan-2-yl-3-propyltriazol-4-amine?
N-propan-2-yl-3-propyltriazol-4-amine has a molecular weight of 168.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-propyltriazol-4-amine is sourced from PubChem (CID 130486605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).