4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine

C8H15N5O — CID 150671157

IUPAC4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine
SMILESNC1=NC(N)(C2CCOCC2)N=CN1
InChIInChI=1S/C8H15N5O/c9-7-11-5-12-8(10,13-7)6-1-3-14-4-2-6/h5-6H,1-4,10H2,(H3,9,11,12,13)
InChIKeyJFXFBAFAEKDVKQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.03
Rot. Bonds1

About 4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine

4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine (PubChem CID 150671157) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine
PubChem CID150671157
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine
SMILESNC1=NC(N)(C2CCOCC2)N=CN1
InChIInChI=1S/C8H15N5O/c9-7-11-5-12-8(10,13-7)6-1-3-14-4-2-6/h5-6H,1-4,10H2,(H3,9,11,12,13)
InChIKeyJFXFBAFAEKDVKQ-UHFFFAOYSA-N
XLogP-1.03
TPSA98.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine (CID 150671157) is 4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine is NC1=NC(N)(C2CCOCC2)N=CN1.
What is the InChIKey of 4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is JFXFBAFAEKDVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c9-7-11-5-12-8(10,13-7)6-1-3-14-4-2-6/h5-6H,1-4,10H2,(H3,9,11,12,13).
What are the key properties of 4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine?
4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 197.24 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 150671157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).