N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide

C9H14N6O6 — CID 118198263

IUPACN-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
SMILESO=CN(CO)c1nc(N(C=O)CO)nc(N(CO)CO)n1
InChIInChI=1S/C9H14N6O6/c16-1-13(2-17)7-10-8(14(3-18)4-19)12-9(11-7)15(5-20)6-21/h1,3,17,19-21H,2,4-6H2
InChIKeyFTZQHWIAWCFQCX-UHFFFAOYSA-N
MW302.25 g/mol
LogP-3.60
Rot. Bonds9

About N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide

N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide (PubChem CID 118198263) has the molecular formula C9H14N6O6 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide.

Molecular Properties

Compound NameN-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
PubChem CID118198263
Molecular FormulaC9H14N6O6
Molecular Weight302.25 g/mol
Exact Mass302.10
IUPAC NameN-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
SMILESO=CN(CO)c1nc(N(C=O)CO)nc(N(CO)CO)n1
InChIInChI=1S/C9H14N6O6/c16-1-13(2-17)7-10-8(14(3-18)4-19)12-9(11-7)15(5-20)6-21/h1,3,17,19-21H,2,4-6H2
InChIKeyFTZQHWIAWCFQCX-UHFFFAOYSA-N
XLogP-3.60
TPSA163.45 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 5-3.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
The IUPAC name of N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide (CID 118198263) is N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide.
What is the SMILES notation for N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
The canonical SMILES for N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide is O=CN(CO)c1nc(N(C=O)CO)nc(N(CO)CO)n1.
What is the InChIKey of N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
The InChIKey is FTZQHWIAWCFQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O6/c16-1-13(2-17)7-10-8(14(3-18)4-19)12-9(11-7)15(5-20)6-21/h1,3,17,19-21H,2,4-6H2.
What are the key properties of N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide?
N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide has a molecular weight of 302.25 g/mol, XLogP of -3.60, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide is sourced from PubChem (CID 118198263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).