N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine

C10H18N4O — CID 62386413

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCn1cnnc1CNCC1CCOCC1
InChIInChI=1S/C10H18N4O/c1-14-8-12-13-10(14)7-11-6-9-2-4-15-5-3-9/h8-9,11H,2-7H2,1H3
InChIKeyAEPXMLYCNZLEMP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.33
Rot. Bonds4

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 62386413) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID62386413
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCn1cnnc1CNCC1CCOCC1
InChIInChI=1S/C10H18N4O/c1-14-8-12-13-10(14)7-11-6-9-2-4-15-5-3-9/h8-9,11H,2-7H2,1H3
InChIKeyAEPXMLYCNZLEMP-UHFFFAOYSA-N
XLogP0.33
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydrofuran-3-ylmethyl)piperidine
CID 74237197
1-[(4-Methyl-1,2,4-triazol-3-yl)methyl]-4-(oxan-4-yl)piperidine
CID 86770994
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxan-4-amine
CID 125440078
2-fluoro-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]oxan-3-amine
CID 126857077
(3S,5S)-5-[1-isopropyl-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]-1-methylpyrrolidin-3-amine
CID 74238346
3-(Tetrahydro-2H-pyran-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62905533
[2-(Oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 65648870
N-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 65650815
4-Methyl-3-(oxan-4-yl)-1,2,4-triazole
CID 115395424
(3S)-3-[(4-methyl-1,2,4-triazol-3-yl)methoxymethyl]piperidine;hydrochloride
CID 140121431
[2-[(2,2-Dimethyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride
CID 169041714
Ethyl-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]azanium
CID 169041733

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine (CID 62386413) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine is Cn1cnnc1CNCC1CCOCC1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is AEPXMLYCNZLEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14-8-12-13-10(14)7-11-6-9-2-4-15-5-3-9/h8-9,11H,2-7H2,1H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62386413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).