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

C5H8N4 — CID 145418887

IUPACN-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine
SMILESC=C(C)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4/c1-4(2)8-5-6-3-7-9-5/h3H,1H2,2H3,(H2,6,7,8,9)
InChIKeyOJHQCHLCVNGGTB-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.75
Rot. Bonds2

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

N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine (PubChem CID 145418887) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine
PubChem CID145418887
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC NameN-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine
SMILESC=C(C)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4/c1-4(2)8-5-6-3-7-9-5/h3H,1H2,2H3,(H2,6,7,8,9)
InChIKeyOJHQCHLCVNGGTB-UHFFFAOYSA-N
XLogP0.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine (CID 145418887) is N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine is C=C(C)Nc1ncn[nH]1.
What is the InChIKey of N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine?
The InChIKey is OJHQCHLCVNGGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-4(2)8-5-6-3-7-9-5/h3H,1H2,2H3,(H2,6,7,8,9).
What are the key properties of N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine?
N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine has a molecular weight of 124.15 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-yl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 145418887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).