2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine

C9H16N4 — CID 167236857

IUPAC2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine
SMILESC/C=C(/C)c1ncnn1C(C)(C)N
InChIInChI=1S/C9H16N4/c1-5-7(2)8-11-6-12-13(8)9(3,4)10/h5-6H,10H2,1-4H3/b7-5-
InChIKeyCIPKOQGQHHEJAD-ALCCZGGFSA-N
MW180.25 g/mol
LogP1.35
Rot. Bonds2

About 2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine

2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine (PubChem CID 167236857) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine
PubChem CID167236857
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine
SMILESC/C=C(/C)c1ncnn1C(C)(C)N
InChIInChI=1S/C9H16N4/c1-5-7(2)8-11-6-12-13(8)9(3,4)10/h5-6H,10H2,1-4H3/b7-5-
InChIKeyCIPKOQGQHHEJAD-ALCCZGGFSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine?
The IUPAC name of 2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine (CID 167236857) is 2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine.
What is the SMILES notation for 2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine?
The canonical SMILES for 2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine is C/C=C(/C)c1ncnn1C(C)(C)N.
What is the InChIKey of 2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine?
The InChIKey is CIPKOQGQHHEJAD-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16N4/c1-5-7(2)8-11-6-12-13(8)9(3,4)10/h5-6H,10H2,1-4H3/b7-5-.
What are the key properties of 2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine?
2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine has a molecular weight of 180.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine is sourced from PubChem (CID 167236857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).