N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine

C13H22N4O — CID 146141713

IUPACN-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCO[C@@H]1CCCCC[C@H]1Nc1nnc(C)c(C)n1
InChIInChI=1S/C13H22N4O/c1-9-10(2)16-17-13(14-9)15-11-7-5-4-6-8-12(11)18-3/h11-12H,4-8H2,1-3H3,(H,14,15,17)/t11-,12-/m1/s1
InChIKeyVZWTXRGZYUJIDI-VXGBXAGGSA-N
MW250.35 g/mol
LogP2.25
Rot. Bonds3

About N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine

N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 146141713) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID146141713
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCO[C@@H]1CCCCC[C@H]1Nc1nnc(C)c(C)n1
InChIInChI=1S/C13H22N4O/c1-9-10(2)16-17-13(14-9)15-11-7-5-4-6-8-12(11)18-3/h11-12H,4-8H2,1-3H3,(H,14,15,17)/t11-,12-/m1/s1
InChIKeyVZWTXRGZYUJIDI-VXGBXAGGSA-N
XLogP2.25
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine with MolForge

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Related Compounds

2-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclohexane-1,2-diamine
CID 114787028
2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine
CID 102559514
N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline
CID 54861611
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094
N-(2-methoxycyclopentyl)-3,6-dimethylpyrazin-2-amine
CID 65417548
N-[(1R,2R)-2-ethylcyclopropyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 130680330
N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268330
4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline
CID 63449328
N-[(1S,2S)-2-methoxycyclopentyl]-1-methyltetrazol-5-amine
CID 130679815
N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine
CID 62086991
N-(4,4-dimethylcyclohexyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448626
4-ethoxy-N-(2-methoxycyclopentyl)pyrimidin-2-amine
CID 112637423

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine (CID 146141713) is N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine is CO[C@@H]1CCCCC[C@H]1Nc1nnc(C)c(C)n1.
What is the InChIKey of N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is VZWTXRGZYUJIDI-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-10(2)16-17-13(14-9)15-11-7-5-4-6-8-12(11)18-3/h11-12H,4-8H2,1-3H3,(H,14,15,17)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 250.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 146141713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).