ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine

C9H20N4 — CID 156868597

IUPACethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
SMILESCC.CC(C)NCCn1cncn1
InChIInChI=1S/C7H14N4.C2H6/c1-7(2)9-3-4-11-6-8-5-10-11;1-2/h5-7,9H,3-4H2,1-2H3;1-2H3
InChIKeyPACHXIUWALDPIJ-UHFFFAOYSA-N
MW184.29 g/mol
LogP1.30
Rot. Bonds4

About ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine

ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine (PubChem CID 156868597) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Nameethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
PubChem CID156868597
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Nameethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
SMILESCC.CC(C)NCCn1cncn1
InChIInChI=1S/C7H14N4.C2H6/c1-7(2)9-3-4-11-6-8-5-10-11;1-2/h5-7,9H,3-4H2,1-2H3;1-2H3
InChIKeyPACHXIUWALDPIJ-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The IUPAC name of ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine (CID 156868597) is ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The canonical SMILES for ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine is CC.CC(C)NCCn1cncn1.
What is the InChIKey of ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The InChIKey is PACHXIUWALDPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4.C2H6/c1-7(2)9-3-4-11-6-8-5-10-11;1-2/h5-7,9H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine has a molecular weight of 184.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 156868597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).