1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine

C10H19N5O — CID 107050847

IUPAC1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine
SMILESCn1nnc(CC(N)CC2CCCCO2)n1
InChIInChI=1S/C10H19N5O/c1-15-13-10(12-14-15)7-8(11)6-9-4-2-3-5-16-9/h8-9H,2-7,11H2,1H3
InChIKeyANOUJJAPKTZPSK-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.04
Rot. Bonds4

About 1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine

1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine (PubChem CID 107050847) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine
PubChem CID107050847
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine
SMILESCn1nnc(CC(N)CC2CCCCO2)n1
InChIInChI=1S/C10H19N5O/c1-15-13-10(12-14-15)7-8(11)6-9-4-2-3-5-16-9/h8-9H,2-7,11H2,1H3
InChIKeyANOUJJAPKTZPSK-UHFFFAOYSA-N
XLogP0.04
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine (CID 107050847) is 1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine is Cn1nnc(CC(N)CC2CCCCO2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine?
The InChIKey is ANOUJJAPKTZPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-15-13-10(12-14-15)7-8(11)6-9-4-2-3-5-16-9/h8-9H,2-7,11H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine?
1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine has a molecular weight of 225.30 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-amine is sourced from PubChem (CID 107050847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).