4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine

C7H11N5 — CID 130618237

IUPAC4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(CN2CCC2)n1
InChIInChI=1S/C7H11N5/c8-7-10-5-9-6(11-7)4-12-2-1-3-12/h5H,1-4H2,(H2,8,9,10,11)
InChIKeyFHXSMXPOIWTKBD-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.34
Rot. Bonds2

About 4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine

4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 130618237) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID130618237
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(CN2CCC2)n1
InChIInChI=1S/C7H11N5/c8-7-10-5-9-6(11-7)4-12-2-1-3-12/h5H,1-4H2,(H2,8,9,10,11)
InChIKeyFHXSMXPOIWTKBD-UHFFFAOYSA-N
XLogP-0.34
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 130685335
2-(piperidin-1-ylmethyl)pyrimidin-4-amine
CID 82278529
2-(azetidin-1-ylmethyl)pyrimidine
CID 141298122
2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine
CID 58278816
4-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63866964
6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 63596408
6-(azepan-1-ylmethyl)-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 753517
4,6-bis(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine
CID 174751032
3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole
CID 130649612
4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine
CID 105466429
6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34700430
[6-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437203

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine (CID 130618237) is 4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine is Nc1ncnc(CN2CCC2)n1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is FHXSMXPOIWTKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c8-7-10-5-9-6(11-7)4-12-2-1-3-12/h5H,1-4H2,(H2,8,9,10,11).
What are the key properties of 4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine?
4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 165.20 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 130618237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).