3-amino-1-(2-propyltetrazol-5-yl)propan-1-one

C7H13N5O — CID 84769019

IUPAC3-amino-1-(2-propyltetrazol-5-yl)propan-1-one
SMILESCCCn1nnc(C(=O)CCN)n1
InChIInChI=1S/C7H13N5O/c1-2-5-12-10-7(9-11-12)6(13)3-4-8/h2-5,8H2,1H3
InChIKeyUTPOIVWZMIMKHC-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.39
Rot. Bonds5

About 3-amino-1-(2-propyltetrazol-5-yl)propan-1-one

3-amino-1-(2-propyltetrazol-5-yl)propan-1-one (PubChem CID 84769019) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-1-(2-propyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-propyltetrazol-5-yl)propan-1-one
PubChem CID84769019
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name3-amino-1-(2-propyltetrazol-5-yl)propan-1-one
SMILESCCCn1nnc(C(=O)CCN)n1
InChIInChI=1S/C7H13N5O/c1-2-5-12-10-7(9-11-12)6(13)3-4-8/h2-5,8H2,1H3
InChIKeyUTPOIVWZMIMKHC-UHFFFAOYSA-N
XLogP-0.39
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-propyltetrazol-5-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2-propyltetrazol-5-yl)propan-1-one (CID 84769019) is 3-amino-1-(2-propyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-propyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-propyltetrazol-5-yl)propan-1-one is CCCn1nnc(C(=O)CCN)n1.
What is the InChIKey of 3-amino-1-(2-propyltetrazol-5-yl)propan-1-one?
The InChIKey is UTPOIVWZMIMKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-2-5-12-10-7(9-11-12)6(13)3-4-8/h2-5,8H2,1H3.
What are the key properties of 3-amino-1-(2-propyltetrazol-5-yl)propan-1-one?
3-amino-1-(2-propyltetrazol-5-yl)propan-1-one has a molecular weight of 183.21 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-propyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 84769019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).