calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine

C6H14CaN6O2 — CID 173423869

IUPACcalcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.CNc1nc(N)nc(N)n1.[Ca+2].[H-].[H-]
InChIInChI=1S/C4H8N6.C2H4O2.Ca.2H/c1-7-4-9-2(5)8-3(6)10-4;1-2(3)4;;;/h1H3,(H5,5,6,7,8,9,10);1H3,(H,3,4);;;/q;;+2;2*-1
InChIKeySFTDHNKTISMNTP-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.99
Rot. Bonds1

About calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine

calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 173423869) has the molecular formula C6H14CaN6O2 and a molecular weight of 242.30 g/mol. Its IUPAC name is calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namecalcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID173423869
Molecular FormulaC6H14CaN6O2
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Namecalcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCC(=O)O.CNc1nc(N)nc(N)n1.[Ca+2].[H-].[H-]
InChIInChI=1S/C4H8N6.C2H4O2.Ca.2H/c1-7-4-9-2(5)8-3(6)10-4;1-2(3)4;;;/h1H3,(H5,5,6,7,8,9,10);1H3,(H,3,4);;;/q;;+2;2*-1
InChIKeySFTDHNKTISMNTP-UHFFFAOYSA-N
XLogP-0.99
TPSA140.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)
CID 173065956
2-N-methyl-6-nitroso-1,3,5-triazine-2,4-diamine
CID 174411106
formaldehyde;propan-2-one;1,3,5-triazine-2,4,6-triamine
CID 157396052
azane;carbonic acid;1,3,5-triazine-2,4,6-triamine
CID 174964625
N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide;sulfuric acid
CID 174450453
N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide
CID 170151658
2-N-methyl-1,3,5-triazine-2,4,6-triamine;6-N-methyl-1,3,5-triazin-1-ium-2,4,6-triamine
CID 159305843
N-(4,6-diamino-1,3,5-triazin-2-yl)hydroxylamine;urea
CID 159363516
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
sodium;hydride;1,3,5-triazine-2,4,6-triamine;urea
CID 175059828
N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide
CID 22235146
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804

Frequently Asked Questions

What is the IUPAC name of calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 173423869) is calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine is CC(=O)O.CNc1nc(N)nc(N)n1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SFTDHNKTISMNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6.C2H4O2.Ca.2H/c1-7-4-9-2(5)8-3(6)10-4;1-2(3)4;;;/h1H3,(H5,5,6,7,8,9,10);1H3,(H,3,4);;;/q;;+2;2*-1.
What are the key properties of calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 242.30 g/mol, XLogP of -0.99, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 173423869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).