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

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

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Related Compounds

1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80843227
2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114759634
6-chloro-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 105420861
1-[[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 80843488
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108921
1-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65122923
6-chloro-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 118444193
1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 116795995
1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 66277916
1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80915853
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115355172
1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108811

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).