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

C10H15ClN4O2 — CID 166099151

IUPAC(3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol
SMILESCc1nc(N[C@@H]2CCOC[C@@]2(C)O)nnc1Cl
InChIInChI=1S/C10H15ClN4O2/c1-6-8(11)14-15-9(12-6)13-7-3-4-17-5-10(7,2)16/h7,16H,3-5H2,1-2H3,(H,12,13,15)/t7-,10-/m1/s1
InChIKeyNRLSBDGFAIJZAO-GMSGAONNSA-N
MW258.71 g/mol
LogP0.79
Rot. Bonds2

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

(3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol (PubChem CID 166099151) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is (3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol
PubChem CID166099151
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name(3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol
SMILESCc1nc(N[C@@H]2CCOC[C@@]2(C)O)nnc1Cl
InChIInChI=1S/C10H15ClN4O2/c1-6-8(11)14-15-9(12-6)13-7-3-4-17-5-10(7,2)16/h7,16H,3-5H2,1-2H3,(H,12,13,15)/t7-,10-/m1/s1
InChIKeyNRLSBDGFAIJZAO-GMSGAONNSA-N
XLogP0.79
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol?
The IUPAC name of (3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol (CID 166099151) is (3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol?
The canonical SMILES for (3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol is Cc1nc(N[C@@H]2CCOC[C@@]2(C)O)nnc1Cl.
What is the InChIKey of (3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol?
The InChIKey is NRLSBDGFAIJZAO-GMSGAONNSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-6-8(11)14-15-9(12-6)13-7-3-4-17-5-10(7,2)16/h7,16H,3-5H2,1-2H3,(H,12,13,15)/t7-,10-/m1/s1.
What are the key properties of (3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol?
(3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol has a molecular weight of 258.71 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-3-methyloxan-3-ol is sourced from PubChem (CID 166099151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).