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

C8H13N5O — CID 103912459

IUPAC1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCC(NC(=O)NC1CC1)c1ncn[nH]1
InChIInChI=1S/C8H13N5O/c1-5(7-9-4-10-13-7)11-8(14)12-6-2-3-6/h4-6H,2-3H2,1H3,(H,9,10,13)(H2,11,12,14)
InChIKeyLVCKVOOKZJWJDR-UHFFFAOYSA-N
MW195.23 g/mol
LogP0.33
Rot. Bonds3

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

1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 103912459) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID103912459
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCC(NC(=O)NC1CC1)c1ncn[nH]1
InChIInChI=1S/C8H13N5O/c1-5(7-9-4-10-13-7)11-8(14)12-6-2-3-6/h4-6H,2-3H2,1H3,(H,9,10,13)(H2,11,12,14)
InChIKeyLVCKVOOKZJWJDR-UHFFFAOYSA-N
XLogP0.33
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 112753670
2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]acetic acid
CID 106283363
1-propyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103950239
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide
CID 103725791
3-methyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 106283360
(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]cyclopropane-1-carboxylic acid
CID 106283288
(2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 97219658
3-chloro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282499
(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
2-methyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106283285

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 103912459) is 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is CC(NC(=O)NC1CC1)c1ncn[nH]1.
What is the InChIKey of 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is LVCKVOOKZJWJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-5(7-9-4-10-13-7)11-8(14)12-6-2-3-6/h4-6H,2-3H2,1H3,(H,9,10,13)(H2,11,12,14).
What are the key properties of 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 195.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 103912459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).