3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

C8H16N6O — CID 79071706

IUPAC3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCN1CCOC(CNc2n[nH]c(N)n2)C1
InChIInChI=1S/C8H16N6O/c1-14-2-3-15-6(5-14)4-10-8-11-7(9)12-13-8/h6H,2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyDIHFFPIYMHGVFN-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.87
Rot. Bonds3

About 3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 79071706) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID79071706
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
SMILESCN1CCOC(CNc2n[nH]c(N)n2)C1
InChIInChI=1S/C8H16N6O/c1-14-2-3-15-6(5-14)4-10-8-11-7(9)12-13-8/h6H,2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyDIHFFPIYMHGVFN-UHFFFAOYSA-N
XLogP-0.87
TPSA92.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
3-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277519
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381
6-chloro-2-N-[(4-methylmorpholin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80850407
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79071314
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
6-amino-1-ethyl-5-[(4-methylmorpholin-2-yl)methylamino]pyrimidine-2,4-dione
CID 78916170
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 106890563
5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120970692
2-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2,3-diamine
CID 79082098
3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine
CID 66277099

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine (CID 79071706) is 3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is CN1CCOC(CNc2n[nH]c(N)n2)C1.
What is the InChIKey of 3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is DIHFFPIYMHGVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-14-2-3-15-6(5-14)4-10-8-11-7(9)12-13-8/h6H,2-5H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 212.26 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 79071706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).