formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine

C7H14N6O2 — CID 157396052

IUPACformaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine
SMILESC=O.CC(C)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H6O.CH2O/c4-1-7-2(5)9-3(6)8-1;1-3(2)4;1-2/h(H6,4,5,6,7,8,9);1-2H3;1H2
InChIKeyBMOUYZCTOOEOOS-UHFFFAOYSA-N
MW214.23 g/mol
LogP-0.97
Rot. Bonds

About formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine

formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine (PubChem CID 157396052) has the molecular formula C7H14N6O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameformaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine
PubChem CID157396052
Molecular FormulaC7H14N6O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Nameformaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine
SMILESC=O.CC(C)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H6O.CH2O/c4-1-7-2(5)9-3(6)8-1;1-3(2)4;1-2/h(H6,4,5,6,7,8,9);1-2H3;1H2
InChIKeyBMOUYZCTOOEOOS-UHFFFAOYSA-N
XLogP-0.97
TPSA150.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

formaldehyde;titanium(4+);1,3,5-triazine-2,4,6-triamine;urea;tetrachloride
CID 6455262
sodium;formaldehyde;1,3,5-triazine-2,4,6-triamine;hydroxide
CID 67590856
carbonodithioic S,S-acid;1,3,5-triazine-2,4,6-triamine
CID 175196538
azane;carbonic acid;1,3,5-triazine-2,4,6-triamine
CID 174964625
sodium;hydride;1,3,5-triazine-2,4,6-triamine;urea
CID 175059828
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
1,3,5-triazine-2,4,6-triamine
CID 22011128
CID 158808778
CID 158808778
sulfuric acid;1,3,5-triazine-2,4,6-triamine
CID 68603217
azane;ethene;phosphoric acid;1,3,5-triazine-2,4,6-triamine
CID 173089859
disodium;formaldehyde;bis(1,3,5-triazine-2,4,6-triamine);sulfite
CID 70405297

Frequently Asked Questions

What is the IUPAC name of formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine (CID 157396052) is formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine is C=O.CC(C)=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine?
The InChIKey is BMOUYZCTOOEOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H6O.CH2O/c4-1-7-2(5)9-3(6)8-1;1-3(2)4;1-2/h(H6,4,5,6,7,8,9);1-2H3;1H2.
What are the key properties of formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine?
formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine has a molecular weight of 214.23 g/mol, XLogP of -0.97, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 157396052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).