(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine

C3H9N5 — CID 141076668

IUPAC(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine
SMILESCN1NN=C(CN)N1
InChIInChI=1S/C3H9N5/c1-8-6-3(2-4)5-7-8/h7H,2,4H2,1H3,(H,5,6)
InChIKeyHHLNJFLCVPOXSE-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.79
Rot. Bonds1

About (2-methyl-1,3-dihydrotetrazol-5-yl)methanamine

(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine (PubChem CID 141076668) has the molecular formula C3H9N5 and a molecular weight of 115.14 g/mol. Its IUPAC name is (2-methyl-1,3-dihydrotetrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine
PubChem CID141076668
Molecular FormulaC3H9N5
Molecular Weight115.14 g/mol
Exact Mass115.09
IUPAC Name(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine
SMILESCN1NN=C(CN)N1
InChIInChI=1S/C3H9N5/c1-8-6-3(2-4)5-7-8/h7H,2,4H2,1H3,(H,5,6)
InChIKeyHHLNJFLCVPOXSE-UHFFFAOYSA-N
XLogP-1.79
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dihydrotetrazol-5-yl)methanamine?
The IUPAC name of (2-methyl-1,3-dihydrotetrazol-5-yl)methanamine (CID 141076668) is (2-methyl-1,3-dihydrotetrazol-5-yl)methanamine.
What is the SMILES notation for (2-methyl-1,3-dihydrotetrazol-5-yl)methanamine?
The canonical SMILES for (2-methyl-1,3-dihydrotetrazol-5-yl)methanamine is CN1NN=C(CN)N1.
What is the InChIKey of (2-methyl-1,3-dihydrotetrazol-5-yl)methanamine?
The InChIKey is HHLNJFLCVPOXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N5/c1-8-6-3(2-4)5-7-8/h7H,2,4H2,1H3,(H,5,6).
What are the key properties of (2-methyl-1,3-dihydrotetrazol-5-yl)methanamine?
(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine has a molecular weight of 115.14 g/mol, XLogP of -1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dihydrotetrazol-5-yl)methanamine is sourced from PubChem (CID 141076668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).