6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine

C9H14ClN5 — CID 168973542

IUPAC6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCNC2)nnc1Cl
InChIInChI=1S/C9H14ClN5/c1-6-8(10)14-15-9(12-6)13-7-3-2-4-11-5-7/h7,11H,2-5H2,1H3,(H,12,13,15)/t7-/m1/s1
InChIKeyTZJOTWMEBOJIKQ-SSDOTTSWSA-N
MW227.70 g/mol
LogP1.00
Rot. Bonds2

About 6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine

6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine (PubChem CID 168973542) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine
PubChem CID168973542
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCNC2)nnc1Cl
InChIInChI=1S/C9H14ClN5/c1-6-8(10)14-15-9(12-6)13-7-3-2-4-11-5-7/h7,11H,2-5H2,1H3,(H,12,13,15)/t7-/m1/s1
InChIKeyTZJOTWMEBOJIKQ-SSDOTTSWSA-N
XLogP1.00
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine (CID 168973542) is 6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine is Cc1nc(N[C@@H]2CCCNC2)nnc1Cl.
What is the InChIKey of 6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine?
The InChIKey is TZJOTWMEBOJIKQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-6-8(10)14-15-9(12-6)13-7-3-2-4-11-5-7/h7,11H,2-5H2,1H3,(H,12,13,15)/t7-/m1/s1.
What are the key properties of 6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine?
6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine has a molecular weight of 227.70 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(3R)-piperidin-3-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 168973542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).