1,3,5-triazine;urea

C4H7N5O — CID 67443877

IUPAC1,3,5-triazine;urea
SMILESNC(N)=O.c1ncncn1
InChIInChI=1S/C3H3N3.CH4N2O/c1-4-2-6-3-5-1;2-1(3)4/h1-3H;(H4,2,3,4)
InChIKeyBCNGTQUCJIKRSQ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.10
Rot. Bonds

About 1,3,5-triazine;urea

1,3,5-triazine;urea (PubChem CID 67443877) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 1,3,5-triazine;urea.

Molecular Properties

Compound Name1,3,5-triazine;urea
PubChem CID67443877
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name1,3,5-triazine;urea
SMILESNC(N)=O.c1ncncn1
InChIInChI=1S/C3H3N3.CH4N2O/c1-4-2-6-3-5-1;2-1(3)4/h1-3H;(H4,2,3,4)
InChIKeyBCNGTQUCJIKRSQ-UHFFFAOYSA-N
XLogP-1.10
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazine-2,4-diamine
CID 10435
1,3,5-Triazin-2-amine
CID 20077
4-Methoxy-1,3,5-triazin-2-amine
CID 14288
2-[Carbamoyl(sulfinato)amino]-1,3,5-triazine
CID 17888134
Formaldehyde;1,3,5-triazine
CID 19901968
Ureido-s-triazine
CID 19917709
Thiocarbamate s-Triazine
CID 56995632
O-(1,3,5-triazin-2-yl)hydroxylamine
CID 68537593
1,3,5-Triazine-2,4-diamine--hydrogen chloride (1/1)
CID 71443729
Guanidino-sym-triazine hydrochloride
CID 129792974
N-sym-triazinyl-N-cyanourea
CID 129798978
(4-Amino-1,3,5-triazin-2-yl)cyanamide
CID 13033500

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine;urea?
The IUPAC name of 1,3,5-triazine;urea (CID 67443877) is 1,3,5-triazine;urea.
What is the SMILES notation for 1,3,5-triazine;urea?
The canonical SMILES for 1,3,5-triazine;urea is NC(N)=O.c1ncncn1.
What is the InChIKey of 1,3,5-triazine;urea?
The InChIKey is BCNGTQUCJIKRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.CH4N2O/c1-4-2-6-3-5-1;2-1(3)4/h1-3H;(H4,2,3,4).
What are the key properties of 1,3,5-triazine;urea?
1,3,5-triazine;urea has a molecular weight of 141.13 g/mol, XLogP of -1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine;urea is sourced from PubChem (CID 67443877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).