1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one

C9H17N5O — CID 107062238

IUPAC1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CNC(C)(C)C)n1
InChIInChI=1S/C9H17N5O/c1-9(2,3)10-6-7(15)5-8-11-13-14(4)12-8/h10H,5-6H2,1-4H3
InChIKeyVDXRZBBPGCDYOZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.29
Rot. Bonds4

About 1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one

1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107062238) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107062238
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CNC(C)(C)C)n1
InChIInChI=1S/C9H17N5O/c1-9(2,3)10-6-7(15)5-8-11-13-14(4)12-8/h10H,5-6H2,1-4H3
InChIKeyVDXRZBBPGCDYOZ-UHFFFAOYSA-N
XLogP-0.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methyltetrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 107062235
3-(Diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047207
1-(Methylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061804
1-(2-Methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one
CID 107061820
1-(Cyclopropylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061823
1-(Butan-2-ylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061836
1-(2-Methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-one
CID 107061840
1-(Cyclopropylmethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061852
4-(Tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061856
1-(2-Methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one
CID 107061860
1-(Cyclopentylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061872
4-(Cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061874

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107062238) is 1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one is Cn1nnc(CC(=O)CNC(C)(C)C)n1.
What is the InChIKey of 1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is VDXRZBBPGCDYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-9(2,3)10-6-7(15)5-8-11-13-14(4)12-8/h10H,5-6H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one?
1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 211.27 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107062238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).