(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine

C14H25N7 — CID 25469022

IUPAC(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine
SMILESCCN(CC)[C@H](CNc1ccc2nnnn2n1)CC(C)C
InChIInChI=1S/C14H25N7/c1-5-20(6-2)12(9-11(3)4)10-15-13-7-8-14-16-18-19-21(14)17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyVPSTZXCQWKJHEP-LBPRGKRZSA-N
MW291.40 g/mol
LogP1.69
Rot. Bonds8

About (2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine

(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine (PubChem CID 25469022) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine
PubChem CID25469022
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine
SMILESCCN(CC)[C@H](CNc1ccc2nnnn2n1)CC(C)C
InChIInChI=1S/C14H25N7/c1-5-20(6-2)12(9-11(3)4)10-15-13-7-8-14-16-18-19-21(14)17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,15,17)/t12-/m0/s1
InChIKeyVPSTZXCQWKJHEP-LBPRGKRZSA-N
XLogP1.69
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78957763
N-(2-methoxypropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 102699023
N-(2-pyrrolidin-1-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113222142
(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 40843444
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 94063941
2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 115366197
N-(3-ethyl-2-pyrrolidin-1-ylpentyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 51076061
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-(2-methylpentan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47393251
N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 113257468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine?
The IUPAC name of (2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine (CID 25469022) is (2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine.
What is the SMILES notation for (2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine?
The canonical SMILES for (2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine is CCN(CC)[C@H](CNc1ccc2nnnn2n1)CC(C)C.
What is the InChIKey of (2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine?
The InChIKey is VPSTZXCQWKJHEP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N7/c1-5-20(6-2)12(9-11(3)4)10-15-13-7-8-14-16-18-19-21(14)17-13/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine?
(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine has a molecular weight of 291.40 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine is sourced from PubChem (CID 25469022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).