1-methyl-3-(1,3,5-triazin-2-yl)urea

C5H7N5O — CID 59731135

IUPAC1-methyl-3-(1,3,5-triazin-2-yl)urea
SMILESCNC(=O)Nc1ncncn1
InChIInChI=1S/C5H7N5O/c1-6-5(11)10-4-8-2-7-3-9-4/h2-3H,1H3,(H2,6,7,8,9,10,11)
InChIKeyGZCLGHTXMBXFCK-UHFFFAOYSA-N
MW153.15 g/mol
LogP-0.38
Rot. Bonds1

About 1-methyl-3-(1,3,5-triazin-2-yl)urea

1-methyl-3-(1,3,5-triazin-2-yl)urea (PubChem CID 59731135) has the molecular formula C5H7N5O and a molecular weight of 153.15 g/mol. Its IUPAC name is 1-methyl-3-(1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(1,3,5-triazin-2-yl)urea
PubChem CID59731135
Molecular FormulaC5H7N5O
Molecular Weight153.15 g/mol
Exact Mass153.07
IUPAC Name1-methyl-3-(1,3,5-triazin-2-yl)urea
SMILESCNC(=O)Nc1ncncn1
InChIInChI=1S/C5H7N5O/c1-6-5(11)10-4-8-2-7-3-9-4/h2-3H,1H3,(H2,6,7,8,9,10,11)
InChIKeyGZCLGHTXMBXFCK-UHFFFAOYSA-N
XLogP-0.38
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1,3,5-triazin-2-amine
CID 19952
Ureido-s-triazine
CID 19917709
4-Methoxy-6-methylamino-1,3,5-triazin
CID 20133980
2-Amino-4-(methylamino)-1,3,5-triazine
CID 53424410
Thiocarbamate s-Triazine
CID 56995632
N-sym-triazinyl-N-cyanourea
CID 129798978
2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 35230
1-(4,6-Diamino-1,3,5-triazin-2-yl)-3-methylurea
CID 18366364
1-Methyl-1-(1,3,5-triazin-2-yl)urea
CID 19758518
1-[4-Amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea
CID 19909971
2-(Sulfinatocarbamoylamino)-1,3,5-triazine
CID 21654698
(4-Methoxy-1,3,5-triazin-2-yl)urea
CID 23310879

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,3,5-triazin-2-yl)urea?
The IUPAC name of 1-methyl-3-(1,3,5-triazin-2-yl)urea (CID 59731135) is 1-methyl-3-(1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1-methyl-3-(1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1-methyl-3-(1,3,5-triazin-2-yl)urea is CNC(=O)Nc1ncncn1.
What is the InChIKey of 1-methyl-3-(1,3,5-triazin-2-yl)urea?
The InChIKey is GZCLGHTXMBXFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O/c1-6-5(11)10-4-8-2-7-3-9-4/h2-3H,1H3,(H2,6,7,8,9,10,11).
What are the key properties of 1-methyl-3-(1,3,5-triazin-2-yl)urea?
1-methyl-3-(1,3,5-triazin-2-yl)urea has a molecular weight of 153.15 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 59731135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).