2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C8H13N5O — CID 15370783

IUPAC2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(NCC2CCCO2)n1
InChIInChI=1S/C8H13N5O/c9-7-11-5-12-8(13-7)10-4-6-2-1-3-14-6/h5-6H,1-4H2,(H3,9,10,11,12,13)
InChIKeyCOYFHKLDHWTLAD-UHFFFAOYSA-N
MW195.23 g/mol
LogP0.04
Rot. Bonds3

About 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 15370783) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID15370783
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(NCC2CCCO2)n1
InChIInChI=1S/C8H13N5O/c9-7-11-5-12-8(13-7)10-4-6-2-1-3-14-6/h5-6H,1-4H2,(H3,9,10,11,12,13)
InChIKeyCOYFHKLDHWTLAD-UHFFFAOYSA-N
XLogP0.04
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 15370783) is 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is Nc1ncnc(NCC2CCCO2)n1.
What is the InChIKey of 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is COYFHKLDHWTLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-7-11-5-12-8(13-7)10-4-6-2-1-3-14-6/h5-6H,1-4H2,(H3,9,10,11,12,13).
What are the key properties of 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 195.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15370783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).