cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol

C10H15ClN4O — CID 166099089

IUPACcis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
SMILESCc1nc(N[C@@H]2CCC[C@H](O)C2)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-6-9(11)14-15-10(12-6)13-7-3-2-4-8(16)5-7/h7-8,16H,2-5H2,1H3,(H,12,13,15)/t7-,8+/m1/s1
InChIKeyITLVOBBSHAZUHJ-SFYZADRCSA-N
MW242.71 g/mol
LogP1.55
Rot. Bonds2

About cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol

cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol (PubChem CID 166099089) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
PubChem CID166099089
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Namecis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
SMILESCc1nc(N[C@@H]2CCC[C@H](O)C2)nnc1Cl
InChIInChI=1S/C10H15ClN4O/c1-6-9(11)14-15-10(12-6)13-7-3-2-4-8(16)5-7/h7-8,16H,2-5H2,1H3,(H,12,13,15)/t7-,8+/m1/s1
InChIKeyITLVOBBSHAZUHJ-SFYZADRCSA-N
XLogP1.55
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol (CID 166099089) is cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol is Cc1nc(N[C@@H]2CCC[C@H](O)C2)nnc1Cl.
What is the InChIKey of cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
The InChIKey is ITLVOBBSHAZUHJ-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-9(11)14-15-10(12-6)13-7-3-2-4-8(16)5-7/h7-8,16H,2-5H2,1H3,(H,12,13,15)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol?
cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol has a molecular weight of 242.71 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 166099089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).