4-amino-1-(3-propyltriazol-4-yl)pentan-1-one

C10H18N4O — CID 114692018

IUPAC4-amino-1-(3-propyltriazol-4-yl)pentan-1-one
SMILESCCCn1nncc1C(=O)CCC(C)N
InChIInChI=1S/C10H18N4O/c1-3-6-14-9(7-12-13-14)10(15)5-4-8(2)11/h7-8H,3-6,11H2,1-2H3
InChIKeyNBGAXOPVMJMDEC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.00
Rot. Bonds6

About 4-amino-1-(3-propyltriazol-4-yl)pentan-1-one

4-amino-1-(3-propyltriazol-4-yl)pentan-1-one (PubChem CID 114692018) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-1-(3-propyltriazol-4-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-propyltriazol-4-yl)pentan-1-one
PubChem CID114692018
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-1-(3-propyltriazol-4-yl)pentan-1-one
SMILESCCCn1nncc1C(=O)CCC(C)N
InChIInChI=1S/C10H18N4O/c1-3-6-14-9(7-12-13-14)10(15)5-4-8(2)11/h7-8H,3-6,11H2,1-2H3
InChIKeyNBGAXOPVMJMDEC-UHFFFAOYSA-N
XLogP1.00
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-propyltriazol-4-yl)octan-1-one
CID 115802389
3-amino-4,4-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-one
CID 114692341
3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 114692097
3-(2,2-difluoroethoxy)-1-(3-propyltriazol-4-yl)propan-1-one
CID 103147118
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
4-(3-propyltriazol-4-yl)butan-2-amine
CID 114690307
2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
CID 114691818
2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone
CID 114692308
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
CID 103133153
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
4-(3-ethyltriazol-4-yl)-4-oxobutanoic acid
CID 84733430

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-propyltriazol-4-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(3-propyltriazol-4-yl)pentan-1-one (CID 114692018) is 4-amino-1-(3-propyltriazol-4-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(3-propyltriazol-4-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(3-propyltriazol-4-yl)pentan-1-one is CCCn1nncc1C(=O)CCC(C)N.
What is the InChIKey of 4-amino-1-(3-propyltriazol-4-yl)pentan-1-one?
The InChIKey is NBGAXOPVMJMDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-6-14-9(7-12-13-14)10(15)5-4-8(2)11/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 4-amino-1-(3-propyltriazol-4-yl)pentan-1-one?
4-amino-1-(3-propyltriazol-4-yl)pentan-1-one has a molecular weight of 210.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-propyltriazol-4-yl)pentan-1-one is sourced from PubChem (CID 114692018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).