1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide

C13H18ClN9O2 — CID 138612961

IUPAC1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide
SMILESNCCn1nnnc1NC(=O)c1nn(N)c(=O)c(C2CCCC2)c1Cl
InChIInChI=1S/C13H18ClN9O2/c14-9-8(7-3-1-2-4-7)12(25)23(16)19-10(9)11(24)17-13-18-20-21-22(13)6-5-15/h7H,1-6,15-16H2,(H,17,18,21,24)
InChIKeyASJMGVDMIMFIDC-UHFFFAOYSA-N
MW367.80 g/mol
LogP-0.53
Rot. Bonds5

About 1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide

1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide (PubChem CID 138612961) has the molecular formula C13H18ClN9O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide
PubChem CID138612961
Molecular FormulaC13H18ClN9O2
Molecular Weight367.80 g/mol
Exact Mass367.13
IUPAC Name1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide
SMILESNCCn1nnnc1NC(=O)c1nn(N)c(=O)c(C2CCCC2)c1Cl
InChIInChI=1S/C13H18ClN9O2/c14-9-8(7-3-1-2-4-7)12(25)23(16)19-10(9)11(24)17-13-18-20-21-22(13)6-5-15/h7H,1-6,15-16H2,(H,17,18,21,24)
InChIKeyASJMGVDMIMFIDC-UHFFFAOYSA-N
XLogP-0.53
TPSA159.63 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide (CID 138612961) is 1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide is NCCn1nnnc1NC(=O)c1nn(N)c(=O)c(C2CCCC2)c1Cl.
What is the InChIKey of 1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ASJMGVDMIMFIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN9O2/c14-9-8(7-3-1-2-4-7)12(25)23(16)19-10(9)11(24)17-13-18-20-21-22(13)6-5-15/h7H,1-6,15-16H2,(H,17,18,21,24).
What are the key properties of 1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide?
1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide has a molecular weight of 367.80 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-aminoethyl)tetrazol-5-yl]-4-chloro-5-cyclopentyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 138612961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).