N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine

C10H18N4O — CID 62755634

IUPACN-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCn1cc(CNCC2CCCOC2)nn1
InChIInChI=1S/C10H18N4O/c1-14-7-10(12-13-14)6-11-5-9-3-2-4-15-8-9/h7,9,11H,2-6,8H2,1H3
InChIKeyJKEKXRLQOTXGOE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.33
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine

N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 62755634) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID62755634
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCn1cc(CNCC2CCCOC2)nn1
InChIInChI=1S/C10H18N4O/c1-14-7-10(12-13-14)6-11-5-9-3-2-4-15-8-9/h7,9,11H,2-6,8H2,1H3
InChIKeyJKEKXRLQOTXGOE-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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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine (CID 62755634) is N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine is Cn1cc(CNCC2CCCOC2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is JKEKXRLQOTXGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14-7-10(12-13-14)6-11-5-9-3-2-4-15-8-9/h7,9,11H,2-6,8H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine?
N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-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-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 62755634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).