N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine

C17H28N8 — CID 56778163

IUPACN-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCCCCn1nnnc1CN(C)C1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C17H28N8/c1-4-5-11-25-17(20-21-22-25)13-23(3)15-7-6-10-24(12-15)16-9-8-14(2)18-19-16/h8-9,15H,4-7,10-13H2,1-3H3
InChIKeySYCBIJCVZIPBNL-UHFFFAOYSA-N
MW344.47 g/mol
LogP1.67
Rot. Bonds7

About N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine

N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine (PubChem CID 56778163) has the molecular formula C17H28N8 and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine
PubChem CID56778163
Molecular FormulaC17H28N8
Molecular Weight344.47 g/mol
Exact Mass344.24
IUPAC NameN-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCCCCn1nnnc1CN(C)C1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C17H28N8/c1-4-5-11-25-17(20-21-22-25)13-23(3)15-7-6-10-24(12-15)16-9-8-14(2)18-19-16/h8-9,15H,4-7,10-13H2,1-3H3
InChIKeySYCBIJCVZIPBNL-UHFFFAOYSA-N
XLogP1.67
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95600027
(1S)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 100838546
(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 95764452
(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 95757599
N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine
CID 138022659
N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95599811
2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide
CID 56802061
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
2-[methyl-[(1-propyltetrazol-5-yl)methyl]amino]cyclohexan-1-ol
CID 102636709
cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine
CID 99106844
N-[(1-butyltetrazol-5-yl)methyl]-N-ethylpiperidin-4-amine
CID 60807659
N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95329823

Frequently Asked Questions

What is the IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine (CID 56778163) is N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine.
What is the SMILES notation for N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The canonical SMILES for N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine is CCCCn1nnnc1CN(C)C1CCCN(c2ccc(C)nn2)C1.
What is the InChIKey of N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The InChIKey is SYCBIJCVZIPBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8/c1-4-5-11-25-17(20-21-22-25)13-23(3)15-7-6-10-24(12-15)16-9-8-14(2)18-19-16/h8-9,15H,4-7,10-13H2,1-3H3.
What are the key properties of N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine has a molecular weight of 344.47 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine is sourced from PubChem (CID 56778163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).