1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea

C8H15N5O — CID 103950239

IUPAC1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCCCNC(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-3-4-9-8(14)12-6(2)7-10-5-11-13-7/h5-6H,3-4H2,1-2H3,(H2,9,12,14)(H,10,11,13)
InChIKeyZTWZDDAEJCAZOE-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.57
Rot. Bonds4

About 1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea

1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 103950239) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID103950239
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCCCNC(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-3-4-9-8(14)12-6(2)7-10-5-11-13-7/h5-6H,3-4H2,1-2H3,(H2,9,12,14)(H,10,11,13)
InChIKeyZTWZDDAEJCAZOE-UHFFFAOYSA-N
XLogP0.57
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 106283197
2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]acetic acid
CID 106283363
2-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 106283453
3-methyl-2-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 106283266
3-methoxy-4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 114168133
3-methyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 106283360
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103912459
(2S)-3-methyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 106283416
1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106283274
2-methyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106283285
(2R)-3-hydroxy-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106283393
1-phenyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103886618

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 103950239) is 1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is CCCNC(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is ZTWZDDAEJCAZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-3-4-9-8(14)12-6(2)7-10-5-11-13-7/h5-6H,3-4H2,1-2H3,(H2,9,12,14)(H,10,11,13).
What are the key properties of 1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 197.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 103950239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).