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

C12H18ClN5 — CID 166099107

IUPAC6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCN(C3CC3)C2)nnc1Cl
InChIInChI=1S/C12H18ClN5/c1-8-11(13)16-17-12(14-8)15-9-3-2-6-18(7-9)10-4-5-10/h9-10H,2-7H2,1H3,(H,14,15,17)/t9-/m1/s1
InChIKeyGBUCTGJIEJXSPQ-SECBINFHSA-N
MW267.76 g/mol
LogP1.87
Rot. Bonds3

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

6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine (PubChem CID 166099107) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
PubChem CID166099107
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCN(C3CC3)C2)nnc1Cl
InChIInChI=1S/C12H18ClN5/c1-8-11(13)16-17-12(14-8)15-9-3-2-6-18(7-9)10-4-5-10/h9-10H,2-7H2,1H3,(H,14,15,17)/t9-/m1/s1
InChIKeyGBUCTGJIEJXSPQ-SECBINFHSA-N
XLogP1.87
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine (CID 166099107) is 6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine is Cc1nc(N[C@@H]2CCCN(C3CC3)C2)nnc1Cl.
What is the InChIKey of 6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The InChIKey is GBUCTGJIEJXSPQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H18ClN5/c1-8-11(13)16-17-12(14-8)15-9-3-2-6-18(7-9)10-4-5-10/h9-10H,2-7H2,1H3,(H,14,15,17)/t9-/m1/s1.
What are the key properties of 6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine has a molecular weight of 267.76 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-1-cyclopropylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 166099107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).