1-(cyclopropylmethyl)-2,5-dihydrotetrazole

C5H10N4 — CID 175743164

IUPAC1-(cyclopropylmethyl)-2,5-dihydrotetrazole
SMILESC1CC1CN1CN=NN1
InChIInChI=1S/C5H10N4/c1-2-5(1)3-9-4-6-7-8-9/h5H,1-4H2,(H,6,8)
InChIKeyFVOHFINCMBOBRT-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.54
Rot. Bonds2

About 1-(cyclopropylmethyl)-2,5-dihydrotetrazole

1-(cyclopropylmethyl)-2,5-dihydrotetrazole (PubChem CID 175743164) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2,5-dihydrotetrazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2,5-dihydrotetrazole
PubChem CID175743164
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1-(cyclopropylmethyl)-2,5-dihydrotetrazole
SMILESC1CC1CN1CN=NN1
InChIInChI=1S/C5H10N4/c1-2-5(1)3-9-4-6-7-8-9/h5H,1-4H2,(H,6,8)
InChIKeyFVOHFINCMBOBRT-UHFFFAOYSA-N
XLogP0.54
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2,5-dihydrotetrazole?
The IUPAC name of 1-(cyclopropylmethyl)-2,5-dihydrotetrazole (CID 175743164) is 1-(cyclopropylmethyl)-2,5-dihydrotetrazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-2,5-dihydrotetrazole?
The canonical SMILES for 1-(cyclopropylmethyl)-2,5-dihydrotetrazole is C1CC1CN1CN=NN1.
What is the InChIKey of 1-(cyclopropylmethyl)-2,5-dihydrotetrazole?
The InChIKey is FVOHFINCMBOBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-5(1)3-9-4-6-7-8-9/h5H,1-4H2,(H,6,8).
What are the key properties of 1-(cyclopropylmethyl)-2,5-dihydrotetrazole?
1-(cyclopropylmethyl)-2,5-dihydrotetrazole has a molecular weight of 126.16 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2,5-dihydrotetrazole is sourced from PubChem (CID 175743164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).