N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine

C11H20N4O — CID 104586687

IUPACN-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESCc1nc(CNCC2(C)CCOCC2)n[nH]1
InChIInChI=1S/C11H20N4O/c1-9-13-10(15-14-9)7-12-8-11(2)3-5-16-6-4-11/h12H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyJEVVSIGKZMIIEY-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.02
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine

N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine (PubChem CID 104586687) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
PubChem CID104586687
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESCc1nc(CNCC2(C)CCOCC2)n[nH]1
InChIInChI=1S/C11H20N4O/c1-9-13-10(15-14-9)7-12-8-11(2)3-5-16-6-4-11/h12H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyJEVVSIGKZMIIEY-UHFFFAOYSA-N
XLogP1.02
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 126796183
(3S,5S)-1-methyl-5-[3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-amine
CID 74234861
2,5-Dimethyl-N-[(4-methyloxan-4-YL)methyl]-1,2,4-triazol-3-amine
CID 86801674
[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]methanamine
CID 65335042
3-methyl-5-(tetrahydro-2H-pyran-4-yl)-4H-1,2,4-triazole
CID 62906574
N-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 65650815
Ethyl-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]azanium
CID 169041733
[2-[(4-Methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride
CID 169041954
[2-[(4-Methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 172809299
5-ethyl-3-(oxan-4-yl)-1H-1,2,4-triazole
CID 53631365
1-(oxan-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 62387040
5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole
CID 62906575

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine (CID 104586687) is N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine is Cc1nc(CNCC2(C)CCOCC2)n[nH]1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
The InChIKey is JEVVSIGKZMIIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-13-10(15-14-9)7-12-8-11(2)3-5-16-6-4-11/h12H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine has a molecular weight of 224.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-(5-methyl-1H-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 104586687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).