1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C7H13N5O — CID 116655956

IUPAC1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCNC(=O)NCCc1nncn1C
InChIInChI=1S/C7H13N5O/c1-8-7(13)9-4-3-6-11-10-5-12(6)2/h5H,3-4H2,1-2H3,(H2,8,9,13)
InChIKeySVVIDRUHYGURAV-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.71
Rot. Bonds3

About 1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 116655956) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID116655956
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCNC(=O)NCCc1nncn1C
InChIInChI=1S/C7H13N5O/c1-8-7(13)9-4-3-6-11-10-5-12(6)2/h5H,3-4H2,1-2H3,(H2,8,9,13)
InChIKeySVVIDRUHYGURAV-UHFFFAOYSA-N
XLogP-0.71
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 63332608
(2S)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 55202295
2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 63330525
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 107905239
(2S)-3-hydroxy-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 63330039
2-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 79801536
3-hydroxy-3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 66002045
2-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106110175
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide
CID 63330292
ethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoacetate
CID 63330652
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 63330527

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 116655956) is 1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is CNC(=O)NCCc1nncn1C.
What is the InChIKey of 1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is SVVIDRUHYGURAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-8-7(13)9-4-3-6-11-10-5-12(6)2/h5H,3-4H2,1-2H3,(H2,8,9,13).
What are the key properties of 1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 183.22 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 116655956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).