1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine

C3H9N5 — CID 58875233

IUPAC1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine
SMILESCNCC1=NNNN1
InChIInChI=1S/C3H9N5/c1-4-2-3-5-7-8-6-3/h4,7-8H,2H2,1H3,(H,5,6)
InChIKeyPFSJBMJYUMDNMX-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.87
Rot. Bonds2

About 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine

1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine (PubChem CID 58875233) has the molecular formula C3H9N5 and a molecular weight of 115.14 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine
PubChem CID58875233
Molecular FormulaC3H9N5
Molecular Weight115.14 g/mol
Exact Mass115.09
IUPAC Name1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine
SMILESCNCC1=NNNN1
InChIInChI=1S/C3H9N5/c1-4-2-3-5-7-8-6-3/h4,7-8H,2H2,1H3,(H,5,6)
InChIKeyPFSJBMJYUMDNMX-UHFFFAOYSA-N
XLogP-1.87
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine (CID 58875233) is 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine is CNCC1=NNNN1.
What is the InChIKey of 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine?
The InChIKey is PFSJBMJYUMDNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N5/c1-4-2-3-5-7-8-6-3/h4,7-8H,2H2,1H3,(H,5,6).
What are the key properties of 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine?
1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine has a molecular weight of 115.14 g/mol, XLogP of -1.87, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-tetrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 58875233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).