4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one

C7H14N4O — CID 107410198

IUPAC4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one
SMILESCCC(CCN)n1cn[nH]c1=O
InChIInChI=1S/C7H14N4O/c1-2-6(3-4-8)11-5-9-10-7(11)12/h5-6H,2-4,8H2,1H3,(H,10,12)
InChIKeyRFJVPFLAZYDNCK-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.13
Rot. Bonds4

About 4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one

4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one (PubChem CID 107410198) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one
PubChem CID107410198
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one
SMILESCCC(CCN)n1cn[nH]c1=O
InChIInChI=1S/C7H14N4O/c1-2-6(3-4-8)11-5-9-10-7(11)12/h5-6H,2-4,8H2,1H3,(H,10,12)
InChIKeyRFJVPFLAZYDNCK-UHFFFAOYSA-N
XLogP-0.13
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 91643274
2,4-Dihydro-4-(4-piperidinyl)-3H-1,2,4-triazol-3-one
CID 68502202
4-pentyl-1H-1,2,4-triazol-5-one
CID 69582029
4-Cyclopentyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 123487892
4-butan-2-yl-1H-1,2,4-triazol-5-one
CID 140400399
2-(4-Aminopentyl)-4-methyl-1,2,4-triazol-3-one
CID 81947374
4-(1-aminopropan-2-yl)-1H-1,2,4-triazol-5-one
CID 83679921
4-(2-aminopropyl)-1H-1,2,4-triazol-5-one
CID 83679923
4-(3-aminopropyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 83679924
4-(4-aminobutan-2-yl)-1H-1,2,4-triazol-5-one
CID 107410191
4-(4-aminobutyl)-1H-1,2,4-triazol-5-one
CID 107410196
4-(3-amino-2-methylpropyl)-1H-1,2,4-triazol-5-one
CID 107410197

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one (CID 107410198) is 4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one is CCC(CCN)n1cn[nH]c1=O.
What is the InChIKey of 4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one?
The InChIKey is RFJVPFLAZYDNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-2-6(3-4-8)11-5-9-10-7(11)12/h5-6H,2-4,8H2,1H3,(H,10,12).
What are the key properties of 4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one?
4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one has a molecular weight of 170.22 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).