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

C13H17ClN6O — CID 114951004

IUPAC1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C13H17ClN6O/c1-19(8-13(21)4-2-3-5-13)11-16-10(14)17-12(18-11)20-7-6-15-9-20/h6-7,9,21H,2-5,8H2,1H3
InChIKeyJVVPDYQEQPFYKM-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.45
Rot. Bonds4

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

1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114951004) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114951004
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C13H17ClN6O/c1-19(8-13(21)4-2-3-5-13)11-16-10(14)17-12(18-11)20-7-6-15-9-20/h6-7,9,21H,2-5,8H2,1H3
InChIKeyJVVPDYQEQPFYKM-UHFFFAOYSA-N
XLogP1.45
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol (CID 114951004) is 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is JVVPDYQEQPFYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-19(8-13(21)4-2-3-5-13)11-16-10(14)17-12(18-11)20-7-6-15-9-20/h6-7,9,21H,2-5,8H2,1H3.
What are the key properties of 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 308.77 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114951004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).