3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine

C5H8N4 — CID 70401315

IUPAC3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine
SMILESNC=CCc1ncn[nH]1
InChIInChI=1S/C5H8N4/c6-3-1-2-5-7-4-8-9-5/h1,3-4H,2,6H2,(H,7,8,9)
InChIKeyOYZRKWUCWZCMAD-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.18
Rot. Bonds2

About 3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine

3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine (PubChem CID 70401315) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine
PubChem CID70401315
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine
SMILESNC=CCc1ncn[nH]1
InChIInChI=1S/C5H8N4/c6-3-1-2-5-7-4-8-9-5/h1,3-4H,2,6H2,(H,7,8,9)
InChIKeyOYZRKWUCWZCMAD-UHFFFAOYSA-N
XLogP-0.18
TPSA67.59 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 ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine
CID 130987503
2-(1H-1,2,4-triazol-5-yl)ethanethioamide
CID 131121035
1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride
CID 139026713
3-(1H-1,2,4-triazol-5-yl)prop-1-en-2-ol
CID 67831911
5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole
CID 140766762
5-[[2,4,6-trimethyl-3,5-bis(1H-1,2,4-triazol-5-ylmethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 171783575
5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 118564355
5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 58490953
2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine
CID 64546102
acetaldehyde;ethane;5-ethyl-1H-1,2,4-triazole;methane;pent-2-ene
CID 157229407
5-heptadecyl-1H-1,2,4-triazole
CID 558137

Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine (CID 70401315) is 3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine is NC=CCc1ncn[nH]1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine?
The InChIKey is OYZRKWUCWZCMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-3-1-2-5-7-4-8-9-5/h1,3-4H,2,6H2,(H,7,8,9).
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine?
3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine has a molecular weight of 124.15 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine is sourced from PubChem (CID 70401315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).