formamide;1,3,5-triazine-2,4,6-triamine

C4H9N7O — CID 23023290

IUPACformamide;1,3,5-triazine-2,4,6-triamine
SMILESNC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.CH3NO/c4-1-7-2(5)9-3(6)8-1;2-1-3/h(H6,4,5,6,7,8,9);1H,(H2,2,3)
InChIKeyDFXUJVLVUMQDDC-UHFFFAOYSA-N
MW171.16 g/mol
LogP-2.28
Rot. Bonds

About formamide;1,3,5-triazine-2,4,6-triamine

formamide;1,3,5-triazine-2,4,6-triamine (PubChem CID 23023290) has the molecular formula C4H9N7O and a molecular weight of 171.16 g/mol. Its IUPAC name is formamide;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameformamide;1,3,5-triazine-2,4,6-triamine
PubChem CID23023290
Molecular FormulaC4H9N7O
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Nameformamide;1,3,5-triazine-2,4,6-triamine
SMILESNC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.CH3NO/c4-1-7-2(5)9-3(6)8-1;2-1-3/h(H6,4,5,6,7,8,9);1H,(H2,2,3)
InChIKeyDFXUJVLVUMQDDC-UHFFFAOYSA-N
XLogP-2.28
TPSA159.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-Diamino-1,3,5-triazin-2-yl)formamide
CID 25796
Melamine formaldehyde
CID 93374
Urea, polymer with formaldehyde and 1,3,5-triazine-2,4,6-triamine
CID 168250
2-Cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 168812
Formaldehyde;1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 173855
Melamine urea
CID 21896498
Formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 6452344
Formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride
CID 6454242
2-Cyanoguanidine;formaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 158227943
Formaldehyde;tin(2+);1,3,5-triazine-2,4,6-triamine;dichloride
CID 44151111
N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 326498
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]formamide
CID 326499

Frequently Asked Questions

What is the IUPAC name of formamide;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of formamide;1,3,5-triazine-2,4,6-triamine (CID 23023290) is formamide;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for formamide;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for formamide;1,3,5-triazine-2,4,6-triamine is NC=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of formamide;1,3,5-triazine-2,4,6-triamine?
The InChIKey is DFXUJVLVUMQDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH3NO/c4-1-7-2(5)9-3(6)8-1;2-1-3/h(H6,4,5,6,7,8,9);1H,(H2,2,3).
What are the key properties of formamide;1,3,5-triazine-2,4,6-triamine?
formamide;1,3,5-triazine-2,4,6-triamine has a molecular weight of 171.16 g/mol, XLogP of -2.28, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23023290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).