N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H18ClN7 — CID 124888509

IUPACN-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(N[C@@H]3CCN(c4ncccc4Cl)C3)nn12
InChIInChI=1S/C16H18ClN7/c1-2-14-20-21-15-6-5-13(22-24(14)15)19-11-7-9-23(10-11)16-12(17)4-3-8-18-16/h3-6,8,11H,2,7,9-10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyKCLXSCLLXFORAH-LLVKDONJSA-N
MW343.82 g/mol
LogP2.43
Rot. Bonds4

About N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 124888509) has the molecular formula C16H18ClN7 and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID124888509
Molecular FormulaC16H18ClN7
Molecular Weight343.82 g/mol
Exact Mass343.13
IUPAC NameN-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(N[C@@H]3CCN(c4ncccc4Cl)C3)nn12
InChIInChI=1S/C16H18ClN7/c1-2-14-20-21-15-6-5-13(22-24(14)15)19-11-7-9-23(10-11)16-12(17)4-3-8-18-16/h3-6,8,11H,2,7,9-10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyKCLXSCLLXFORAH-LLVKDONJSA-N
XLogP2.43
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol
CID 154741640
3-tert-butyl-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133493533
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133493496
3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494519
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-(diethylamino)pyrrolidine-1-carboxamide
CID 166217431
4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide
CID 154794198
(3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine
CID 97072925
1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283451
methyl 2-chloro-4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-5-nitrobenzoate
CID 133369032
1-(3-chloro-2-pyridinyl)-N-(3-methylsulfonyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133414404
N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine
CID 121184363
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 124888509) is N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nnc2ccc(N[C@@H]3CCN(c4ncccc4Cl)C3)nn12.
What is the InChIKey of N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KCLXSCLLXFORAH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClN7/c1-2-14-20-21-15-6-5-13(22-24(14)15)19-11-7-9-23(10-11)16-12(17)4-3-8-18-16/h3-6,8,11H,2,7,9-10H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 343.82 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 124888509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).