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

C9H16N4O — CID 130670945

IUPAC(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
SMILESCn1cc(CN[C@@H]2CCCOC2)nn1
InChIInChI=1S/C9H16N4O/c1-13-6-9(11-12-13)5-10-8-3-2-4-14-7-8/h6,8,10H,2-5,7H2,1H3/t8-/m1/s1
InChIKeyWQMYQLPNKFBMSP-MRVPVSSYSA-N
MW196.25 g/mol
LogP0.08
Rot. Bonds3

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

(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine (PubChem CID 130670945) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
PubChem CID130670945
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
SMILESCn1cc(CN[C@@H]2CCCOC2)nn1
InChIInChI=1S/C9H16N4O/c1-13-6-9(11-12-13)5-10-8-3-2-4-14-7-8/h6,8,10H,2-5,7H2,1H3/t8-/m1/s1
InChIKeyWQMYQLPNKFBMSP-MRVPVSSYSA-N
XLogP0.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(oxan-3-yl)triazol-4-yl]methyl]cyclopropanamine
CID 107137979
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010
3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 115671466
2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115563730
N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 62757757
1-methyl-4-[(3R)-oxan-3-yl]triazole
CID 164914057
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
CID 122569432
N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
CID 115906683
N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 63360497
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxan-3-amine
CID 63359786

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine?
The IUPAC name of (3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine (CID 130670945) is (3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine.
What is the SMILES notation for (3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine?
The canonical SMILES for (3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine is Cn1cc(CN[C@@H]2CCCOC2)nn1.
What is the InChIKey of (3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine?
The InChIKey is WQMYQLPNKFBMSP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-6-9(11-12-13)5-10-8-3-2-4-14-7-8/h6,8,10H,2-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine?
(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine is sourced from PubChem (CID 130670945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).