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

C9H14ClN5O — CID 80843196

IUPAC1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1nc(Cl)nc(NCC2(O)CCCC2)n1
InChIInChI=1S/C9H14ClN5O/c10-6-13-7(11)15-8(14-6)12-5-9(16)3-1-2-4-9/h16H,1-5H2,(H3,11,12,13,14,15)
InChIKeyAJANCHYVLXFJJM-UHFFFAOYSA-N
MW243.70 g/mol
LogP0.82
Rot. Bonds3

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

1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 80843196) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID80843196
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1nc(Cl)nc(NCC2(O)CCCC2)n1
InChIInChI=1S/C9H14ClN5O/c10-6-13-7(11)15-8(14-6)12-5-9(16)3-1-2-4-9/h16H,1-5H2,(H3,11,12,13,14,15)
InChIKeyAJANCHYVLXFJJM-UHFFFAOYSA-N
XLogP0.82
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol (CID 80843196) is 1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol is Nc1nc(Cl)nc(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is AJANCHYVLXFJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c10-6-13-7(11)15-8(14-6)12-5-9(16)3-1-2-4-9/h16H,1-5H2,(H3,11,12,13,14,15).
What are the key properties of 1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 243.70 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80843196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).