4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one

C7H13N5O — CID 107061833

IUPAC4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCC(N)CC(=O)Cc1nnn(C)n1
InChIInChI=1S/C7H13N5O/c1-5(8)3-6(13)4-7-9-11-12(2)10-7/h5H,3-4,8H2,1-2H3
InChIKeyXNVVVKSNQINQOX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.94
Rot. Bonds4

About 4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one

4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107061833) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107061833
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCC(N)CC(=O)Cc1nnn(C)n1
InChIInChI=1S/C7H13N5O/c1-5(8)3-6(13)4-7-9-11-12(2)10-7/h5H,3-4,8H2,1-2H3
InChIKeyXNVVVKSNQINQOX-UHFFFAOYSA-N
XLogP-0.94
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047263
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
6-amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062048
1-ethylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047098
1-(2-methyltetrazol-5-yl)-4-piperidin-3-ylpentan-2-one
CID 107062305
1-tert-butylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047104
3-amino-1-(2-methyltetrazol-5-yl)heptan-2-one
CID 107061843
6-amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062534
5-(2-aminoethyl)-6,6-dimethyl-1-(2-methyltetrazol-5-yl)heptan-2-one
CID 107062124
3-amino-5-methylsulfonyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061779
1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 107063286

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107061833) is 4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one is CC(N)CC(=O)Cc1nnn(C)n1.
What is the InChIKey of 4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is XNVVVKSNQINQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-5(8)3-6(13)4-7-9-11-12(2)10-7/h5H,3-4,8H2,1-2H3.
What are the key properties of 4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one?
4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 183.21 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107061833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).