1-[(4-methyloxan-4-yl)methyl]triazol-4-amine

C9H16N4O — CID 165471753

IUPAC1-[(4-methyloxan-4-yl)methyl]triazol-4-amine
SMILESCC1(Cn2cc(N)nn2)CCOCC1
InChIInChI=1S/C9H16N4O/c1-9(2-4-14-5-3-9)7-13-6-8(10)11-12-13/h6H,2-5,7,10H2,1H3
InChIKeyPJNBIFDBESMUSP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.68
Rot. Bonds2

About 1-[(4-methyloxan-4-yl)methyl]triazol-4-amine

1-[(4-methyloxan-4-yl)methyl]triazol-4-amine (PubChem CID 165471753) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(4-methyloxan-4-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(4-methyloxan-4-yl)methyl]triazol-4-amine
PubChem CID165471753
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[(4-methyloxan-4-yl)methyl]triazol-4-amine
SMILESCC1(Cn2cc(N)nn2)CCOCC1
InChIInChI=1S/C9H16N4O/c1-9(2-4-14-5-3-9)7-13-6-8(10)11-12-13/h6H,2-5,7,10H2,1H3
InChIKeyPJNBIFDBESMUSP-UHFFFAOYSA-N
XLogP0.68
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(bromomethyl)-1-[(1-methylcyclobutyl)methyl]triazole
CID 130601543
1-(aminomethyl)triazol-4-amine
CID 22639545
1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine
CID 165479848
1-[[(1R,2R)-2-ethylcyclopropyl]methyl]triazol-4-amine
CID 165472993
[1-[[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methyl]cyclobutyl]methanol
CID 146135499
4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115758120
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79530372
1-(2-methylbutyl)triazol-4-amine
CID 79531086
[2-[(4-methyloxan-4-yl)methyl]-1,2,4-triazol-3-yl]methylazanium chloride
CID 169041954
N-[(4-methyloxan-4-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107166975
4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
CID 143821353
2-(4-aminopyrazol-1-yl)-N-(4-methyloxan-4-yl)acetamide
CID 113490968

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyloxan-4-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(4-methyloxan-4-yl)methyl]triazol-4-amine (CID 165471753) is 1-[(4-methyloxan-4-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(4-methyloxan-4-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(4-methyloxan-4-yl)methyl]triazol-4-amine is CC1(Cn2cc(N)nn2)CCOCC1.
What is the InChIKey of 1-[(4-methyloxan-4-yl)methyl]triazol-4-amine?
The InChIKey is PJNBIFDBESMUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2-4-14-5-3-9)7-13-6-8(10)11-12-13/h6H,2-5,7,10H2,1H3.
What are the key properties of 1-[(4-methyloxan-4-yl)methyl]triazol-4-amine?
1-[(4-methyloxan-4-yl)methyl]triazol-4-amine has a molecular weight of 196.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyloxan-4-yl)methyl]triazol-4-amine is sourced from PubChem (CID 165471753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).