N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine

C9H16N6O — CID 107043401

IUPACN-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESCC1CN(Cc2nnn(C)n2)CCC1=NO
InChIInChI=1S/C9H16N6O/c1-7-5-15(4-3-8(7)12-16)6-9-10-13-14(2)11-9/h7,16H,3-6H2,1-2H3
InChIKeyGTWGZLZEUJECIW-UHFFFAOYSA-N
MW224.27 g/mol
LogP-0.12
Rot. Bonds2

About N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine

N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine (PubChem CID 107043401) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine
PubChem CID107043401
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC NameN-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine
SMILESCC1CN(Cc2nnn(C)n2)CCC1=NO
InChIInChI=1S/C9H16N6O/c1-7-5-15(4-3-8(7)12-16)6-9-10-13-14(2)11-9/h7,16H,3-6H2,1-2H3
InChIKeyGTWGZLZEUJECIW-UHFFFAOYSA-N
XLogP-0.12
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide
CID 104931033
N-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 104930942
(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 114501005
3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043040
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207
1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043012
4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine
CID 107054238
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
CID 107054129
N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
CID 104930954
N-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 104931022
2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 107044977
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 107045335

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine (CID 107043401) is N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine is CC1CN(Cc2nnn(C)n2)CCC1=NO.
What is the InChIKey of N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine?
The InChIKey is GTWGZLZEUJECIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-7-5-15(4-3-8(7)12-16)6-9-10-13-14(2)11-9/h7,16H,3-6H2,1-2H3.
What are the key properties of N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine?
N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine has a molecular weight of 224.27 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 107043401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).