2-(1H-1,2,4-triazol-5-yl)butan-1-amine

C6H12N4 — CID 56973910

IUPAC2-(1H-1,2,4-triazol-5-yl)butan-1-amine
SMILESCCC(CN)c1ncn[nH]1
InChIInChI=1S/C6H12N4/c1-2-5(3-7)6-8-4-9-10-6/h4-5H,2-3,7H2,1H3,(H,8,9,10)
InChIKeyXLFOUDDRCUDARG-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.26
Rot. Bonds3

About 2-(1H-1,2,4-triazol-5-yl)butan-1-amine

2-(1H-1,2,4-triazol-5-yl)butan-1-amine (PubChem CID 56973910) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)butan-1-amine
PubChem CID56973910
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name2-(1H-1,2,4-triazol-5-yl)butan-1-amine
SMILESCCC(CN)c1ncn[nH]1
InChIInChI=1S/C6H12N4/c1-2-5(3-7)6-8-4-9-10-6/h4-5H,2-3,7H2,1H3,(H,8,9,10)
InChIKeyXLFOUDDRCUDARG-UHFFFAOYSA-N
XLogP0.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-chloropropyl)-1H-1,2,4-triazole
CID 67571292
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222379
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
[3-ethyl-1-(1H-1,2,4-triazol-5-yl)pentyl]hydrazine
CID 105230629
2-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 71650519
(2S)-2-phenyl-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 94888605
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65193517
oxo-bis[1-(1H-1,2,4-triazol-5-yl)propoxy]phosphanium
CID 57256431
1-chloro-3-ethyl-1-(1H-1,2,4-triazol-5-yl)pentan-2-ol
CID 86748513
(3R)-3-amino-3-(1H-1,2,4-triazol-5-yl)propanenitrile
CID 90050625

Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)butan-1-amine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)butan-1-amine (CID 56973910) is 2-(1H-1,2,4-triazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)butan-1-amine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)butan-1-amine is CCC(CN)c1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)butan-1-amine?
The InChIKey is XLFOUDDRCUDARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-5(3-7)6-8-4-9-10-6/h4-5H,2-3,7H2,1H3,(H,8,9,10).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)butan-1-amine?
2-(1H-1,2,4-triazol-5-yl)butan-1-amine has a molecular weight of 140.19 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)butan-1-amine is sourced from PubChem (CID 56973910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).