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

C4H11N5 — CID 152790694

IUPACN-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine
SMILESCNCC1=NNN(C)N1
InChIInChI=1S/C4H11N5/c1-5-3-4-6-8-9(2)7-4/h5,8H,3H2,1-2H3,(H,6,7)
InChIKeySHHAQBRVIHGOGD-UHFFFAOYSA-N
MW129.17 g/mol
LogP-1.53
Rot. Bonds2

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

N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine (PubChem CID 152790694) has the molecular formula C4H11N5 and a molecular weight of 129.17 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine
PubChem CID152790694
Molecular FormulaC4H11N5
Molecular Weight129.17 g/mol
Exact Mass129.10
IUPAC NameN-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine
SMILESCNCC1=NNN(C)N1
InChIInChI=1S/C4H11N5/c1-5-3-4-6-8-9(2)7-4/h5,8H,3H2,1-2H3,(H,6,7)
InChIKeySHHAQBRVIHGOGD-UHFFFAOYSA-N
XLogP-1.53
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine (CID 152790694) is N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine is CNCC1=NNN(C)N1.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine?
The InChIKey is SHHAQBRVIHGOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5/c1-5-3-4-6-8-9(2)7-4/h5,8H,3H2,1-2H3,(H,6,7).
What are the key properties of N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine?
N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine has a molecular weight of 129.17 g/mol, XLogP of -1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-dihydrotetrazol-5-yl)methanamine is sourced from PubChem (CID 152790694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).