N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine

C12H19N7 — CID 106618801

IUPACN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)N(CC1CCCN1)c1ccc2nnnn2n1
InChIInChI=1S/C12H19N7/c1-9(2)18(8-10-4-3-7-13-10)12-6-5-11-14-16-17-19(11)15-12/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyNWLDSKSNEQHALO-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.49
Rot. Bonds4

About N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 106618801) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID106618801
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)N(CC1CCCN1)c1ccc2nnnn2n1
InChIInChI=1S/C12H19N7/c1-9(2)18(8-10-4-3-7-13-10)12-6-5-11-14-16-17-19(11)15-12/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyNWLDSKSNEQHALO-UHFFFAOYSA-N
XLogP0.49
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 106620852
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 106619125
N-methyl-N-(piperidin-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 106642634
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide
CID 106618863
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine
CID 106641355
6-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridine-2-carboxamide
CID 106641492
6-ethoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
CID 106641292
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine
CID 106619114
N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine
CID 106641351
4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641317

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 106618801) is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine is CC(C)N(CC1CCCN1)c1ccc2nnnn2n1.
What is the InChIKey of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is NWLDSKSNEQHALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-9(2)18(8-10-4-3-7-13-10)12-6-5-11-14-16-17-19(11)15-12/h5-6,9-10,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 261.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 106618801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).