1-propan-2-yltetrazole-5-carbonitrile

C5H7N5 — CID 69032059

IUPAC1-propan-2-yltetrazole-5-carbonitrile
SMILESCC(C)n1nnnc1C#N
InChIInChI=1S/C5H7N5/c1-4(2)10-5(3-6)7-8-9-10/h4H,1-2H3
InChIKeyLZSWGNJAPGPYDN-UHFFFAOYSA-N
MW137.15 g/mol
LogP0.13
Rot. Bonds1

About 1-propan-2-yltetrazole-5-carbonitrile

1-propan-2-yltetrazole-5-carbonitrile (PubChem CID 69032059) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 1-propan-2-yltetrazole-5-carbonitrile.

Molecular Properties

Compound Name1-propan-2-yltetrazole-5-carbonitrile
PubChem CID69032059
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name1-propan-2-yltetrazole-5-carbonitrile
SMILESCC(C)n1nnnc1C#N
InChIInChI=1S/C5H7N5/c1-4(2)10-5(3-6)7-8-9-10/h4H,1-2H3
InChIKeyLZSWGNJAPGPYDN-UHFFFAOYSA-N
XLogP0.13
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yltetrazole-5-carbonitrile?
The IUPAC name of 1-propan-2-yltetrazole-5-carbonitrile (CID 69032059) is 1-propan-2-yltetrazole-5-carbonitrile.
What is the SMILES notation for 1-propan-2-yltetrazole-5-carbonitrile?
The canonical SMILES for 1-propan-2-yltetrazole-5-carbonitrile is CC(C)n1nnnc1C#N.
What is the InChIKey of 1-propan-2-yltetrazole-5-carbonitrile?
The InChIKey is LZSWGNJAPGPYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c1-4(2)10-5(3-6)7-8-9-10/h4H,1-2H3.
What are the key properties of 1-propan-2-yltetrazole-5-carbonitrile?
1-propan-2-yltetrazole-5-carbonitrile has a molecular weight of 137.15 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yltetrazole-5-carbonitrile is sourced from PubChem (CID 69032059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).