3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol

C12H21N5O — CID 112746297

IUPAC3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(N)nc(C2CC2)n1
InChIInChI=1S/C12H21N5O/c1-2-8(5-6-18)7-14-12-16-10(9-3-4-9)15-11(13)17-12/h8-9,18H,2-7H2,1H3,(H3,13,14,15,16,17)
InChIKeyAFLILGNCXDCZOS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds7

About 3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol

3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol (PubChem CID 112746297) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
PubChem CID112746297
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(N)nc(C2CC2)n1
InChIInChI=1S/C12H21N5O/c1-2-8(5-6-18)7-14-12-16-10(9-3-4-9)15-11(13)17-12/h8-9,18H,2-7H2,1H3,(H3,13,14,15,16,17)
InChIKeyAFLILGNCXDCZOS-UHFFFAOYSA-N
XLogP1.15
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol (CID 112746297) is 3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1nc(N)nc(C2CC2)n1.
What is the InChIKey of 3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol?
The InChIKey is AFLILGNCXDCZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-8(5-6-18)7-14-12-16-10(9-3-4-9)15-11(13)17-12/h8-9,18H,2-7H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol?
3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 112746297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).