ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine

C7H14N4 — CID 145418886

IUPACethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine
SMILESC=C(C)Nc1ncn[nH]1.CC
InChIInChI=1S/C5H8N4.C2H6/c1-4(2)8-5-6-3-7-9-5;1-2/h3H,1H2,2H3,(H2,6,7,8,9);1-2H3
InChIKeySZMUJQHFQOSQFC-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.78
Rot. Bonds2

About ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine

ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine (PubChem CID 145418886) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Nameethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine
PubChem CID145418886
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Nameethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine
SMILESC=C(C)Nc1ncn[nH]1.CC
InChIInChI=1S/C5H8N4.C2H6/c1-4(2)8-5-6-3-7-9-5;1-2/h3H,1H2,2H3,(H2,6,7,8,9);1-2H3
InChIKeySZMUJQHFQOSQFC-UHFFFAOYSA-N
XLogP1.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine?
The IUPAC name of ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine (CID 145418886) is ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine is C=C(C)Nc1ncn[nH]1.CC.
What is the InChIKey of ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine?
The InChIKey is SZMUJQHFQOSQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.C2H6/c1-4(2)8-5-6-3-7-9-5;1-2/h3H,1H2,2H3,(H2,6,7,8,9);1-2H3.
What are the key properties of ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine?
ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine has a molecular weight of 154.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 145418886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).