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

C9H17N5O — CID 107050797

IUPAC1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine
SMILESCn1nnc(CC(N)CC2CCOC2)n1
InChIInChI=1S/C9H17N5O/c1-14-12-9(11-13-14)5-8(10)4-7-2-3-15-6-7/h7-8H,2-6,10H2,1H3
InChIKeyAKRDOMATCIMGQT-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.49
Rot. Bonds4

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

1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine (PubChem CID 107050797) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine
PubChem CID107050797
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine
SMILESCn1nnc(CC(N)CC2CCOC2)n1
InChIInChI=1S/C9H17N5O/c1-14-12-9(11-13-14)5-8(10)4-7-2-3-15-6-7/h7-8H,2-6,10H2,1H3
InChIKeyAKRDOMATCIMGQT-UHFFFAOYSA-N
XLogP-0.49
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.49
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-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine (CID 107050797) is 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine is Cn1nnc(CC(N)CC2CCOC2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is AKRDOMATCIMGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-12-9(11-13-14)5-8(10)4-7-2-3-15-6-7/h7-8H,2-6,10H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine?
1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 211.27 g/mol, XLogP of -0.49, 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-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 107050797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).